Ligand source activities (1 row/activity)



Get vendors


Ligands (move mouse cursor over ligand name to see structure) Receptor Activity Chemical information
Sel. page Common
name		 GPCRdb
ID		 Reference
ligand		 Vendors

 Species

 Assay
Type

 Activity
Type		 Activity
Relation		 Activity
Value		 p-value
(-log)		 Fold
selectivity		 Tested
GPCRs		 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
CHEMBL2372985 212791 None 0 Human Functional pEC50 = 9.4 9.4 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372997 212799 None 0 Human Functional pEC50 = 9.3 9.3 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372993 212795 None 0 Human Functional pEC50 = 9.2 9.2 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2373004 212806 None 0 Human Functional pEC50 = 8.9 8.9 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370125 212248 None 0 Human Functional pEC50 = 5.9 5.9 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2179708 211900 None 0 Human Functional pEC50 = 4.8 4.8 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221068 211900 None 0 Human Functional pEC50 = 4.8 4.8 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2370130 212251 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370132 212252 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2179708 211900 None 0 Human Functional pEC50 = 4.8 4.8 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221068 211900 None 0 Human Functional pEC50 = 4.8 4.8 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2370133 212253 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370136 212256 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370140 212259 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370105 212240 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370139 212258 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370134 212254 None 0 Human Functional pEC50 = 7.8 7.8 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL192685 211550 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180080 211550 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL191687 211540 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180081 211540 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL192685 211550 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180080 211550 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
72736900 162338 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 705 13 12 8 -1.4 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C/C=C/c2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4163529 162338 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 705 13 12 8 -1.4 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C/C=C/c2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL191687 211540 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180081 211540 None 0 Human Functional pEC50 = 4.7 4.7 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2372989 212793 None 0 Human Functional pEC50 = 8.6 8.6 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2373002 212804 None 0 Human Functional pEC50 = 8.6 8.6 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370108 212242 None 0 Human Functional pEC50 = 8.6 8.6 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370126 212249 None 0 Human Functional pEC50 = 5.6 5.6 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
72737246 162564 None 0 Human Functional pEC50 = 4.6 4.6 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 725 10 10 7 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4167050 162564 None 0 Human Functional pEC50 = 4.6 4.6 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 725 10 10 7 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180084 211898 None 0 Human Functional pEC50 = 6.6 6.6 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220522 211898 None 0 Human Functional pEC50 = 6.6 6.6 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180084 211898 None 0 Human Functional pEC50 = 6.6 6.6 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220522 211898 None 0 Human Functional pEC50 = 6.6 6.6 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2179712 211899 None 0 Human Functional pEC50 = 5.5 5.5 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221016 211899 None 0 Human Functional pEC50 = 5.5 5.5 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2179712 211899 None 0 Human Functional pEC50 = 5.5 5.5 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221016 211899 None 0 Human Functional pEC50 = 5.5 5.5 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
72736898 162122 None 0 Human Functional pEC50 = 4.5 4.5 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 699 13 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4159875 162122 None 0 Human Functional pEC50 = 4.5 4.5 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 699 13 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2372983 212790 None 0 Human Functional pEC50 = 8.5 8.5 -32 2
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
16130395 3723 None 15 Human Functional pEC50 = 8.5 8.5 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
56947144 3723 None 15 Human Functional pEC50 = 8.5 8.5 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
73345443 3723 None 15 Human Functional pEC50 = 8.5 8.5 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
853 3723 None 15 Human Functional pEC50 = 8.5 8.5 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
CHEMBL2370138 3723 None 15 Human Functional pEC50 = 8.5 8.5 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
72736896 162908 None 0 Human Functional pEC50 = 4.5 4.5 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 693 13 12 8 -1.8 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4172495 162908 None 0 Human Functional pEC50 = 4.5 4.5 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 693 13 12 8 -1.8 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180079 211893 None 0 Human Functional pEC50 = 5.5 5.5 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2220430 211893 None 0 Human Functional pEC50 = 5.5 5.5 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2373005 212807 None 0 Human Functional pEC50 = 7.4 7.4 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370127 212250 None 0 Human Functional pEC50 = 6.4 6.4 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2180079 211893 None 0 Human Functional pEC50 = 5.4 5.4 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2220430 211893 None 0 Human Functional pEC50 = 5.4 5.4 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180078 211892 None 0 Human Functional pEC50 = 4.4 4.4 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220429 211892 None 0 Human Functional pEC50 = 4.4 4.4 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180078 211892 None 0 Human Functional pEC50 = 4.4 4.4 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220429 211892 None 0 Human Functional pEC50 = 4.4 4.4 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2373000 212802 None 0 Human Functional pEC50 = 7.4 7.4 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372994 212796 None 0 Human Functional pEC50 = 8.4 8.4 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370135 212255 None 0 Human Functional pEC50 = 8.4 8.4 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2373001 212803 None 0 Human Functional pEC50 = 8.3 8.3 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2373003 212805 None 0 Human Functional pEC50 = 7.4 7.4 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL3038228 213405 None 0 Human Functional pEC50 = 6.4 6.4 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(=O)O 10.1016/s0960-894x(00)00535-7
CHEMBL3327368 213847 None 0 Human Functional pEC50 = 4.4 4.4 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327368 213847 None 0 Human Functional pEC50 = 4.4 4.4 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL2370109 212243 None 0 Human Functional pEC50 = 6.4 6.4 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
5275843 216139 None 27 Human Functional pEC50 = 6.3 6.3 32 2
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180076 216139 None 27 Human Functional pEC50 = 6.3 6.3 32 2
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436283 216139 None 27 Human Functional pEC50 = 6.3 6.3 32 2
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2370106 212241 None 0 Human Functional pEC50 = 7.3 7.3 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
5275843 216139 None 27 Human Functional pEC50 = 6.3 6.3 32 2
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180076 216139 None 27 Human Functional pEC50 = 6.3 6.3 32 2
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436283 216139 None 27 Human Functional pEC50 = 6.3 6.3 32 2
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
72737615 162786 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 623 10 11 7 -2.4 N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4170463 162786 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 623 10 11 7 -2.4 N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
11505556 162073 None 0 Human Functional pEC50 = 4.3 4.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 637 10 11 7 -2.0 C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4159140 162073 None 0 Human Functional pEC50 = 4.3 4.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 637 10 11 7 -2.0 C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180077 216138 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL436097 216138 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL2180077 216138 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL436097 216138 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL2180082 211896 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220520 211896 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180082 211896 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220520 211896 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL3038227 213404 None 0 Human Functional pEC50 = 7.3 7.3 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None CC(N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2180083 211897 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220521 211897 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
72737063 163001 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 729 12 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4173917 163001 None 0 Human Functional pEC50 = 5.3 5.3 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 729 12 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180083 211897 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220521 211897 None 0 Human Functional pEC50 = 6.3 6.3 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
118712250 114164 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
CHEMBL3327366 114164 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
118712250 114164 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
CHEMBL3327366 114164 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
145972431 163135 None 0 Human Functional pEC50 = 5.2 5.2 - 1
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 361 5 1 5 2.7 O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 10.1016/j.ejmech.2018.05.013
CHEMBL4176060 163135 None 0 Human Functional pEC50 = 5.2 5.2 - 1
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 361 5 1 5 2.7 O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 10.1016/j.ejmech.2018.05.013
CHEMBL2372999 212801 None 0 Human Functional pEC50 = 8.2 8.2 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372995 212797 None 0 Human Functional pEC50 = 8.2 8.2 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL3327373 213848 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327373 213848 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
134144488 150875 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
CHEMBL3956669 150875 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
134144488 150875 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
CHEMBL3956669 150875 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
118712261 114166 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327376 114166 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
118712261 114166 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327376 114166 None 0 Human Functional pEC50 = 4.2 4.2 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
CHEMBL2180085 211894 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220487 211894 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180085 211894 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220487 211894 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2179709 211901 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221069 211901 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2372986 212792 None 0 Human Functional pEC50 = 7.2 7.2 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2179709 211901 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221069 211901 None 0 Human Functional pEC50 = 6.2 6.2 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2372990 212794 None 0 Human Functional pEC50 = 8.1 8.1 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372998 212800 None 0 Human Functional pEC50 = 7.1 7.1 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2180086 211895 None 0 Human Functional pEC50 = 5.1 5.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220488 211895 None 0 Human Functional pEC50 = 5.1 5.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180086 211895 None 0 Human Functional pEC50 = 5.1 5.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220488 211895 None 0 Human Functional pEC50 = 5.1 5.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180077 216138 None 0 Human Functional pEC50 = 6.1 6.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436097 216138 None 0 Human Functional pEC50 = 6.1 6.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180077 216138 None 0 Human Functional pEC50 = 6.1 6.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436097 216138 None 0 Human Functional pEC50 = 6.1 6.1 - 1
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
118712260 114165 None 0 Human Functional pEC50 = 4.1 4.1 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL3327375 114165 None 0 Human Functional pEC50 = 4.1 4.1 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL2370104 212239 None 0 Human Functional pEC50 = 8.1 8.1 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2372996 212798 None 0 Human Functional pEC50 = 8.1 8.1 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
118712260 114165 None 0 Human Functional pEC50 = 4.1 4.1 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL3327375 114165 None 0 Human Functional pEC50 = 4.1 4.1 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL3327367 213846 None 0 Human Functional pEC50 = 4.1 4.1 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O 10.1016/j.bmc.2014.07.004
CHEMBL3327367 213846 None 0 Human Functional pEC50 = 4.1 4.1 - 1
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O 10.1016/j.bmc.2014.07.004
24066 208512 None 56 Human Functional pEC50 = 7.1 7.1 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL 211 2 2 6 -0.5 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 10.1016/s0960-894x(01)00323-7
CHEMBL853 208512 None 56 Human Functional pEC50 = 7.1 7.1 - 1
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL 211 2 2 6 -0.5 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 10.1016/s0960-894x(01)00323-7
CHEMBL2370124 212247 None 0 Human Functional pEC50 = 6.1 6.1 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370137 212257 None 0 Human Functional pEC50 = 8.0 8.0 - 1
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
145958083 162415 None 0 Human Functional pEC50 = 5.0 5.0 - 1
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 321 7 2 5 2.5 O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1 10.1016/j.ejmech.2018.05.013
CHEMBL4164659 162415 None 0 Human Functional pEC50 = 5.0 5.0 - 1
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 321 7 2 5 2.5 O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1 10.1016/j.ejmech.2018.05.013
11151928 189596 None 0 Human Functional pED50 = 9 9.0 -11 4
Antagonist activity at CXCR4 in human THP1 cells assessed as inhibition of CXCL12-induced chemotaxis after 2 hrs by microtiter format trans-well migration assayAntagonist activity at CXCR4 in human THP1 cells assessed as inhibition of CXCL12-induced chemotaxis after 2 hrs by microtiter format trans-well migration assay
ChEMBL 338 11 2 2 4.3 CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O 10.1021/jm900133w
CHEMBL513863 189596 None 0 Human Functional pED50 = 9 9.0 -11 4
Antagonist activity at CXCR4 in human THP1 cells assessed as inhibition of CXCL12-induced chemotaxis after 2 hrs by microtiter format trans-well migration assayAntagonist activity at CXCR4 in human THP1 cells assessed as inhibition of CXCL12-induced chemotaxis after 2 hrs by microtiter format trans-well migration assay
ChEMBL 338 11 2 2 4.3 CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O 10.1021/jm900133w
138501621 180464 None 3 Human Functional pIC50 = 10.7 10.7 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4751485 180464 None 3 Human Functional pIC50 = 10.7 10.7 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
138501464 183591 None 3 Human Functional pIC50 = 9.6 9.6 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 366 4 0 6 2.6 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4799439 183591 None 3 Human Functional pIC50 = 9.6 9.6 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 366 4 0 6 2.6 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
138501432 183066 None 0 Human Functional pIC50 = 9.4 9.4 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 380 4 0 6 3.0 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4792975 183066 None 0 Human Functional pIC50 = 9.4 9.4 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 380 4 0 6 3.0 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
145975799 163709 None 0 Human Functional pIC50 = 9.1 9.1 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4203703 163709 None 0 Human Functional pIC50 = 9.1 9.1 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
49857283 63834 None 7 Human Functional pIC50 = 9.1 9.1 - 1
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 472 10 3 9 3.0 Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 10.1021/jm100786g
CHEMBL1802333 63834 None 7 Human Functional pIC50 = 9.1 9.1 - 1
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 472 10 3 9 3.0 Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 10.1021/jm100786g
11718722 16663 None 12 Human Functional pIC50 = 9.1 9.1 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Functional pIC50 = 9.1 9.1 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL4163246 215677 None 0 Human Functional pIC50 = 9 9.0 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL None None None N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.ejmech.2017.08.027
76324529 103885 None 0 Human Functional pIC50 = 9 9.0 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
CHEMBL3091683 103885 None 0 Human Functional pIC50 = 9 9.0 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
59176553 148555 None 0 Human Functional pIC50 = 9 9.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 10 1 7 5.6 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12 nan
CHEMBL3938042 148555 None 0 Human Functional pIC50 = 9 9.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 10 1 7 5.6 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12 nan
44470245 150869 None 0 Human Functional pIC50 = 9 9.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 513 9 1 7 5.5 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3956608 150869 None 0 Human Functional pIC50 = 9 9.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 513 9 1 7 5.5 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
11718722 16663 None 12 Human Functional pIC50 = 9.0 9.0 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Functional pIC50 = 9.0 9.0 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
25147749 2094 None 18 Human Functional pIC50 = 9.0 9.0 -18 2
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
2899 2094 None 18 Human Functional pIC50 = 9.0 9.0 -18 2
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
CHEMBL460491 2094 None 18 Human Functional pIC50 = 9.0 9.0 -18 2
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
138501682 183576 None 0 Human Functional pIC50 = 9.0 9.0 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 384 4 0 6 2.7 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4799191 183576 None 0 Human Functional pIC50 = 9.0 9.0 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 384 4 0 6 2.7 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
53323182 56925 None 0 Human Functional pIC50 = 8.9 8.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 388 6 2 6 3.5 NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644092 56925 None 0 Human Functional pIC50 = 8.9 8.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 388 6 2 6 3.5 NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
146970182 190195 None 2 Human Functional pIC50 = 8.8 8.8 - 1
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 522 17 7 6 2.5 N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2022.114150
CHEMBL5172755 190195 None 2 Human Functional pIC50 = 8.8 8.8 - 1
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 522 17 7 6 2.5 N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2022.114150
138501436 181853 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 391 4 0 7 2.4 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4777386 181853 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 391 4 0 7 2.4 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
11565518 89918 None 59 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm100786g
CHEMBL237830 89918 None 59 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm100786g
137655938 159076 None 0 Human Functional pIC50 = 8 8.0 64 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 362 6 2 4 3.0 NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4096305 159076 None 0 Human Functional pIC50 = 8 8.0 64 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 362 6 2 4 3.0 NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
21985038 56911 None 0 Human Functional pIC50 = 8 8.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 426 7 3 5 4.0 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
CHEMBL1644073 56911 None 0 Human Functional pIC50 = 8 8.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 426 7 3 5 4.0 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
59176527 152108 None 0 Human Functional pIC50 = 8 8.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 nan
CHEMBL3966991 152108 None 0 Human Functional pIC50 = 8 8.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 nan
CHEMBL2372983 212790 None 0 Human Functional pIC50 = 8.0 8.0 -32 2
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
146398849 185045 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 417 4 2 5 2.8 CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CNC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4853570 185045 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 417 4 2 5 2.8 CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CNC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
146398367 186639 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 419 5 1 5 3.2 CN(C[C@H]1Cc2c(cccc2N2CC[C@@H](N(C)C)C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4877757 186639 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 419 5 1 5 3.2 CN(C[C@H]1Cc2c(cccc2N2CC[C@@H](N(C)C)C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
146398374 185669 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 419 5 1 5 3.2 CN(C)[C@H]1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C1 10.1021/acsmedchemlett.1c00449
CHEMBL4863276 185669 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 419 5 1 5 3.2 CN(C)[C@H]1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C1 10.1021/acsmedchemlett.1c00449
59176443 142826 None 0 Human Functional pIC50 = 7 7.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3892436 142826 None 0 Human Functional pIC50 = 7 7.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
145961199 162456 None 0 Human Functional pIC50 = 6 6.0 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 326 5 1 6 2.8 CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4165124 162456 None 0 Human Functional pIC50 = 6 6.0 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 326 5 1 6 2.8 CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2)o1 10.1016/j.ejmech.2017.08.027
155523400 170853 None 0 Human Functional pIC50 = 6 6.0 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4452433 170853 None 0 Human Functional pIC50 = 6 6.0 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
56750906 123063 None 4 Human Functional pIC50 = 5 5.0 2 2
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assayAntagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 123063 None 4 Human Functional pIC50 = 5 5.0 2 2
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assayAntagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
59176363 144781 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 6 1 5 4.4 CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3908514 144781 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 6 1 5 4.4 CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
172451431 195661 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5408315 195661 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
172467876 196905 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1443 45 23 19 -4.1 CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5434525 196905 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1443 45 23 19 -4.1 CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
11176403 2093 None 1 Human Functional pIC50 = 8.0 8.0 1 2
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
2900 2093 None 1 Human Functional pIC50 = 8.0 8.0 1 2
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
CHEMBL452864 2093 None 1 Human Functional pIC50 = 8.0 8.0 1 2
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
145956817 162342 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 378 7 2 4 3.5 Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4163573 162342 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 378 7 2 4 3.5 Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
10126019 7730 None 17 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1088913 7730 None 17 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
21985074 56912 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 427 7 3 5 4.0 NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644074 56912 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 427 7 3 5 4.0 NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
59176432 154353 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 443 9 2 6 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3986397 154353 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 443 9 2 6 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc21 nan
146398910 186449 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 431 4 1 5 3.2 CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CCN(C)[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4875030 186449 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 431 4 1 5 3.2 CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3CCN(C)[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
59176435 148477 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3937507 148477 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
71455186 84459 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 10.1021/jm300862u
CHEMBL2170443 84459 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 10.1021/jm300862u
CHEMBL2219950 84459 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 10.1021/jm300862u
172464691 196791 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5432339 196791 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
53325442 58446 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 352 8 1 4 3.8 CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F 10.1016/j.bmcl.2011.01.021
CHEMBL1682988 58446 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 352 8 1 4 3.8 CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F 10.1016/j.bmcl.2011.01.021
59176375 145074 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3910841 145074 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
135314388 157476 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 10.1021/acs.jmedchem.7b01420
CHEMBL4078260 157476 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 10.1021/acs.jmedchem.7b01420
145949156 162807 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 419 7 2 5 2.8 c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4170857 162807 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 419 7 2 5 2.8 c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
172440437 195159 None 0 Human Functional pIC50 = 4.9 4.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1517 48 23 20 -3.8 CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5397712 195159 None 0 Human Functional pIC50 = 4.9 4.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1517 48 23 20 -3.8 CSCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
172455736 196150 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1167 37 18 14 -2.3 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5417672 196150 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1167 37 18 14 -2.3 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 10.1021/acs.jmedchem.3c01128
59176619 161003 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 nan
CHEMBL4115277 161003 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 nan
21985008 8245 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1 10.1021/jm100073m
CHEMBL1092324 8245 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1 10.1021/jm100073m
172441538 195177 None 0 Human Functional pIC50 = 4.9 4.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1517 48 23 20 -3.8 CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5398141 195177 None 0 Human Functional pIC50 = 4.9 4.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1517 48 23 20 -3.8 CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
135313965 162887 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 421 7 1 6 3.9 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 10.1021/acsmedchemlett.8b00030
CHEMBL4172234 162887 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 421 7 1 6 3.9 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 10.1021/acsmedchemlett.8b00030
53325426 56923 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 387 6 2 5 4.1 NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644088 56923 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 387 6 2 5 4.1 NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
59176381 147403 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 526 9 1 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3929073 147403 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 526 9 1 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
4410 3137 None 64 Human Functional pIC50 = 7.9 7.9 -338 6
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
65015 3137 None 64 Human Functional pIC50 = 7.9 7.9 -338 6
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
65015.0 3137 None 64 Human Functional pIC50 = 7.9 7.9 -338 6
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
844 3137 None 64 Human Functional pIC50 = 7.9 7.9 -338 6
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
CHEMBL18442 3137 None 64 Human Functional pIC50 = 7.9 7.9 -338 6
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
DB06809 3137 None 64 Human Functional pIC50 = 7.9 7.9 -338 6
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
483559 181703 None 34 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1021/jm1012374
CHEMBL477121 181703 None 34 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1021/jm1012374
CHEMBL2372993 212795 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
145953887 162663 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 386 6 2 8 3.1 CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4168547 162663 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 386 6 2 8 3.1 CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 10.1016/j.ejmech.2017.08.027
59176391 144748 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3908253 144748 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc21 nan
122192917 123960 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 317 7 3 5 1.1 NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627789 123960 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 317 7 3 5 1.1 NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
172444607 195407 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
CHEMBL5403146 195407 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
59176500 144031 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 554 9 1 7 4.8 C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)C[C@@H](C)O1 nan
CHEMBL3902352 144031 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 554 9 1 7 4.8 C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)C[C@@H](C)O1 nan
59176411 144795 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 580 9 1 7 5.1 O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
CHEMBL3908632 144795 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 580 9 1 7 5.1 O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
145959844 162446 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 433 7 1 5 3.1 CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
CHEMBL4165032 162446 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 433 7 1 5 3.1 CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
10146 1268 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 404 7 1 2 6.0 Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 10.1016/j.ejmech.2018.10.060
137321154 1268 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 404 7 1 2 6.0 Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 10.1016/j.ejmech.2018.10.060
CHEMBL4596188 1268 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 404 7 1 2 6.0 Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 10.1016/j.ejmech.2018.10.060
21984997 56914 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 441 7 3 5 4.2 NCc1cc(C(=O)O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644076 56914 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 441 7 3 5 4.2 NCc1cc(C(=O)O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
72535470 146328 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 nan
CHEMBL3920438 146328 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 nan
59176401 147146 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 7 1 7 4.8 N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 nan
CHEMBL3927015 147146 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 7 1 7 4.8 N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 nan
142416702 162211 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 356 8 2 4 2.8 Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4161409 162211 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 356 8 2 4 2.8 Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
53326308 58403 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 326 7 2 5 2.8 NCCCCN(Cc1ncccc1O)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682862 58403 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 326 7 2 5 2.8 NCCCCN(Cc1ncccc1O)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
137641749 158154 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 362 6 2 4 3.0 NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
CHEMBL4086147 158154 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 362 6 2 4 3.0 NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
25178144 176963 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 430 4 1 5 5.1 C1=C(CS/C(=N\C2CCCCC2)NC2C3CC4CC(C3)CC2C4)N2CCN=C2S1 10.1021/jm801065q
CHEMBL461359 176963 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 430 4 1 5 5.1 C1=C(CS/C(=N\C2CCCCC2)NC2C3CC4CC(C3)CC2C4)N2CCN=C2S1 10.1021/jm801065q
10126019 7730 None 17 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.ejmech.2017.08.027
CHEMBL1088913 7730 None 17 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.ejmech.2017.08.027
145956824 162355 None 0 Human Functional pIC50 = 7.9 7.9 1412 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.1 NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4163770 162355 None 0 Human Functional pIC50 = 7.9 7.9 1412 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.1 NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
138501429 182618 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 394 5 0 6 3.4 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCC(N(C)C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4787045 182618 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 394 5 0 6 3.4 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCC(N(C)C)CC2)n1 10.1016/j.ejmech.2020.112537
53326939 56927 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 389 5 2 5 4.6 NCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644095 56927 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 389 5 2 5 4.6 NCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
44242668 144230 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 1 6 6.0 NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3903887 144230 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 1 6 6.0 NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
146399128 185295 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 433 5 1 5 3.6 CN1CCC(N(C)c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acsmedchemlett.1c00449
CHEMBL4857452 185295 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 433 5 1 5 3.6 CN1CCC(N(C)c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acsmedchemlett.1c00449
145957553 162363 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 5 1 5 3.2 CCN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acs.jmedchem.8b00450
CHEMBL4163874 162363 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 5 1 5 3.2 CCN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acs.jmedchem.8b00450
137641749 158154 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 362 6 2 4 3.0 NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4086147 158154 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 362 6 2 4 3.0 NC/C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
122192918 123961 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 393 8 2 5 3.0 NCCCCN(CC1CN(c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627790 123961 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 393 8 2 5 3.0 NCCCCN(CC1CN(c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
135314386 157887 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 503 9 2 5 5.4 c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCc3ccncc3)cc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4083122 157887 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 503 9 2 5 5.4 c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCc3ccncc3)cc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
70924203 160916 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 nan
CHEMBL4114592 160916 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 nan
59176375 145074 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3910841 145074 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
10149770 8394 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 321 5 2 4 2.8 NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1093302 8394 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 321 5 2 4 2.8 NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
59176448 153506 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 655 11 1 8 5.0 O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CCCN4C(=O)c5ccccc5C4=O)c23)[C@H]2CCCc3cccnc32)CCN1 nan
CHEMBL3978984 153506 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 655 11 1 8 5.0 O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CCCN4C(=O)c5ccccc5C4=O)c23)[C@H]2CCCc3cccnc32)CCN1 nan
172451431 195661 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5408315 195661 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
59176417 146675 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 617 12 1 8 5.3 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
CHEMBL3923061 146675 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 617 12 1 8 5.3 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
59176387 142659 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 508 9 1 6 5.2 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CC3CC3)c12 nan
CHEMBL3891093 142659 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 508 9 1 6 5.2 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CC3CC3)c12 nan
145956312 162793 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 433 4 1 5 3.6 C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1C 10.1021/acs.jmedchem.8b00450
CHEMBL4170542 162793 None 0 Human Functional pIC50 = 7.9 7.9 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 433 4 1 5 3.6 C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1C 10.1021/acs.jmedchem.8b00450
145953040 162708 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 5 2 5 2.9 CCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4169280 162708 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 5 2 5 2.9 CCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
72546066 103895 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 406 8 1 4 4.3 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091694 103895 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 406 8 1 4 4.3 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
9887073 7717 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1 10.1021/jm100073m
CHEMBL1088867 7717 None 0 Human Functional pIC50 = 5.9 5.9 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1 10.1021/jm100073m
59176474 144937 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 385 5 1 5 4.1 CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3909728 144937 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 385 5 1 5 4.1 CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc21 nan
44242663 148645 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
CHEMBL3938805 148645 None 0 Human Functional pIC50 = 6.9 6.9 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
135313899 158345 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 530 8 2 4 6.3 FC1(F)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4088588 158345 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 530 8 2 4 6.3 FC1(F)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 10.1021/acs.jmedchem.7b01420
70924224 147747 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 2 4 4.3 NC(=O)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3931671 147747 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 2 4 4.3 NC(=O)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
145973345 163105 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 403 4 2 5 2.7 CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3C[C@H]2CN3)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4175596 163105 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 403 4 2 5 2.7 CN(C[C@H]1Cc2c(cccc2N2C[C@@H]3C[C@H]2CN3)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
21985015 56916 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 440 7 3 5 3.6 NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644078 56916 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 440 7 3 5 3.6 NCc1cc(C(N)=O)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
59176504 144207 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 11 2 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3903672 144207 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 11 2 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
59176542 151104 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 485 10 1 7 4.8 CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3958465 151104 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 485 10 1 7 4.8 CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
137638242 156947 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 455 10 2 5 4.4 c1cncc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 10.1021/acs.jmedchem.7b01420
CHEMBL4071612 156947 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 455 10 2 5 4.4 c1cncc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 10.1021/acs.jmedchem.7b01420
133081963 1100 None 0 Human Functional pIC50 = 7.8 7.8 -1 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.7b01420
9883 1100 None 0 Human Functional pIC50 = 7.8 7.8 -1 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.7b01420
CHEMBL4075205 1100 None 0 Human Functional pIC50 = 7.8 7.8 -1 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.7b01420
145959814 162424 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 6 2 4 3.9 c1ccc2c(c1)CN[C@@H](CN(CCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4164702 162424 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 6 2 4 3.9 c1ccc2c(c1)CN[C@@H](CN(CCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
59176639 151777 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 544 9 1 6 5.8 c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)cc1 nan
CHEMBL3964188 151777 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 544 9 1 6 5.8 c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)cc1 nan
145974080 163159 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 435 7 2 6 2.5 COCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4176403 163159 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 435 7 2 6 2.5 COCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
4410 3137 None 64 Human Functional pIC50 = 5.8 5.8 -338 6
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
65015 3137 None 64 Human Functional pIC50 = 5.8 5.8 -338 6
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
65015.0 3137 None 64 Human Functional pIC50 = 5.8 5.8 -338 6
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
844 3137 None 64 Human Functional pIC50 = 5.8 5.8 -338 6
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
CHEMBL18442 3137 None 64 Human Functional pIC50 = 5.8 5.8 -338 6
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
DB06809 3137 None 64 Human Functional pIC50 = 5.8 5.8 -338 6
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
137646125 158040 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 460 10 2 4 5.4 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCCCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4084652 158040 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 460 10 2 4 5.4 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCCCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
145949343 163027 None 0 Human Functional pIC50 = 7.8 7.8 371 3
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 6 2 4 3.9 c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4174290 163027 None 0 Human Functional pIC50 = 7.8 7.8 371 3
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 6 2 4 3.9 c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
59176504 144207 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 11 2 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3903672 144207 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 11 2 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
135314048 163181 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 4 2 5 2.8 Cc1cnc2c(c1)CCC[C@@H]2N(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
CHEMBL4176701 163181 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 4 2 5 2.8 Cc1cnc2c(c1)CCC[C@@H]2N(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
145950510 162858 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 433 5 1 5 3.6 CC(C)N1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acs.jmedchem.8b00450
CHEMBL4171755 162858 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 433 5 1 5 3.6 CC(C)N1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acs.jmedchem.8b00450
10172242 7867 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 347 6 2 4 3.4 NC/C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1089845 7867 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 347 6 2 4 3.4 NC/C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
21985119 56921 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 398 6 2 5 3.9 NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644083 56921 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 398 6 2 5 3.9 NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
145958528 162348 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 6 2 4 3.9 c1ccc2c(c1)CN[C@@H](CN(CC[C@@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4163611 162348 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 6 2 4 3.9 c1ccc2c(c1)CN[C@@H](CN(CC[C@@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
53326307 58402 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 354 9 1 5 3.2 COCc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 10.1016/j.bmcl.2011.01.021
CHEMBL1682861 58402 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 354 9 1 5 3.2 COCc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 10.1016/j.bmcl.2011.01.021
135313955 162500 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 9 2 4 3.2 NCCCCN(Cc1ncccc1C1CC1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4165906 162500 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 9 2 4 3.2 NCCCCN(Cc1ncccc1C1CC1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
59176526 143881 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 543 8 0 6 6.2 CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3901111 143881 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 543 8 0 6 6.2 CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
44242735 149318 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 467 8 3 6 4.3 c1cnc2c(c1)CCCC2N(CCCCNC1=NCCN1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3944213 149318 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 467 8 3 6 4.3 c1cnc2c(c1)CCCC2N(CCCCNC1=NCCN1)Cc1nccc2c1[nH]c1ccccc12 nan
146398749 184720 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 405 5 3 5 3.3 CN(C[C@@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4849088 184720 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 405 5 3 5 3.3 CN(C[C@@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
137654290 158894 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 510 9 2 4 6.1 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCC(F)(F)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4094400 158894 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 510 9 2 4 6.1 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCC(F)(F)CC1 10.1021/acs.jmedchem.7b01420
137658901 159529 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 496 10 2 4 5.7 FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4101106 159529 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 496 10 2 4 5.7 FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
70924220 143935 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 427 9 2 4 5.4 CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
CHEMBL3901600 143935 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 427 9 2 4 5.4 CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
145952721 162565 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 419 7 2 5 2.8 c1ccc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4167058 162565 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 419 7 2 5 2.8 c1ccc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
145949486 162931 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 415 7 1 5 3.8 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2ccccc2cn1 10.1021/acsmedchemlett.8b00030
CHEMBL4172802 162931 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 415 7 1 5 3.8 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2ccccc2cn1 10.1021/acsmedchemlett.8b00030
137639251 156872 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 510 10 2 6 3.7 O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4070843 156872 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 510 10 2 6 3.7 O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
59176416 152784 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 9 2 6 3.7 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3972873 152784 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 9 2 6 3.7 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 nan
145954878 162753 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 468 5 1 6 3.8 CN(C[C@H]1Cc2c(cccc2N2CCN(c3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4169875 162753 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 468 5 1 6 3.8 CN(C[C@H]1Cc2c(cccc2N2CCN(c3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
142416740 163215 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 4 0 5 3.2 CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)N(C)C3)CC1 10.1021/acs.jmedchem.8b00450
CHEMBL4177338 163215 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 4 0 5 3.2 CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)N(C)C3)CC1 10.1021/acs.jmedchem.8b00450
145952601 163089 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 420 7 2 6 2.2 c1cnc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4175350 163089 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 420 7 2 6 2.2 c1cnc2c(c1)CN[C@@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
135314132 162138 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 352 8 2 4 3.2 Cc1ccc([C@H](C)N(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 10.1021/acsmedchemlett.7b00381
CHEMBL4160208 162138 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 352 8 2 4 3.2 Cc1ccc([C@H](C)N(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 10.1021/acsmedchemlett.7b00381
172455998 196435 None 0 Human Functional pIC50 = 4.8 4.8 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1499 47 23 19 -3.5 CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5423900 196435 None 0 Human Functional pIC50 = 4.8 4.8 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1499 47 23 19 -3.5 CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
70924231 148947 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 441 8 2 4 4.9 CC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
CHEMBL3941363 148947 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 441 8 2 4 4.9 CC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
25178140 176847 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 364 4 1 5 4.2 C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL460299 176847 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 364 4 1 5 4.2 C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
59176597 148095 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 545 9 1 7 5.2 c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)nc1 nan
CHEMBL3934356 148095 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 545 9 1 7 5.2 c1ccc(Cn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc54)c32)nc1 nan
4410 3137 None 64 Human Functional pIC50 = 7.8 7.8 -338 6
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
65015 3137 None 64 Human Functional pIC50 = 7.8 7.8 -338 6
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
65015.0 3137 None 64 Human Functional pIC50 = 7.8 7.8 -338 6
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
844 3137 None 64 Human Functional pIC50 = 7.8 7.8 -338 6
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
CHEMBL18442 3137 None 64 Human Functional pIC50 = 7.8 7.8 -338 6
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
DB06809 3137 None 64 Human Functional pIC50 = 7.8 7.8 -338 6
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
53322384 58395 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1cccnc1CN(CCCCN)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682854 58395 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1cccnc1CN(CCCCN)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
53322799 58447 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 340 8 1 4 4.1 CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C 10.1016/j.bmcl.2011.01.021
CHEMBL1682989 58447 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 340 8 1 4 4.1 CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C 10.1016/j.bmcl.2011.01.021
122192923 123967 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 451 9 2 6 3.1 NCCCCN(C[C@H]1CN(C(=O)OCc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627799 123967 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 451 9 2 6 3.1 NCCCCN(C[C@H]1CN(C(=O)OCc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
70923321 142907 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 7 2 5 4.3 c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3893005 142907 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 7 2 5 4.3 c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 nan
59176416 152784 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 9 2 6 3.7 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3972873 152784 None 0 Human Functional pIC50 = 7.8 7.8 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 9 2 6 3.7 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc21 nan
146398747 186410 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 405 5 3 5 3.3 CN(C[C@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4874526 186410 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 405 5 3 5 3.3 CN(C[C@H]1Cc2c(cccc2NC2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
146398328 185602 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 431 4 1 5 3.2 CN(C[C@H]1Cc2c(cccc2N2C[C@H]3CCN(C)[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4862362 185602 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 431 4 1 5 3.2 CN(C[C@H]1Cc2c(cccc2N2C[C@H]3CCN(C)[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
76309931 103888 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 435 8 2 4 3.5 CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091686 103888 None 0 Human Functional pIC50 = 6.8 6.8 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 435 8 2 4 3.5 CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
142416884 162241 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 390 4 2 4 3.7 N[C@H]1CC[C@@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
CHEMBL4161850 162241 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 390 4 2 4 3.7 N[C@H]1CC[C@@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
142416914 162721 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(/F)CN 10.1021/acsmedchemlett.7b00406
CHEMBL4169450 162721 None 0 Human Functional pIC50 = 5.8 5.8 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(/F)CN 10.1021/acsmedchemlett.7b00406
70924214 150277 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 5 2 5 3.4 O=C(CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21)N1CCNCC1 nan
CHEMBL3951883 150277 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 5 2 5 3.4 O=C(CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21)N1CCNCC1 nan
25177630 58449 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 298 8 1 4 3.1 Cc1cccc(CN(CCCCN)C(C)c2ccccn2)n1 10.1016/j.bmcl.2011.01.021
CHEMBL1682991 58449 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 298 8 1 4 3.1 Cc1cccc(CN(CCCCN)C(C)c2ccccn2)n1 10.1016/j.bmcl.2011.01.021
135314469 155885 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 510 9 2 5 5.2 c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4059622 155885 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 510 9 2 5 5.2 c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNCC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
135313764 162904 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 358 8 2 4 3.0 NCCCCN(Cc1ncccc1Cl)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4172443 162904 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 358 8 2 4 3.0 NCCCCN(Cc1ncccc1Cl)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
57345320 3832 None 11 Human Functional pIC50 = 7.7 7.7 34 7
Antagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP productionAntagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP production
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
9882 3832 None 11 Human Functional pIC50 = 7.7 7.7 34 7
Antagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP productionAntagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP production
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 7.7 7.7 34 7
Antagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP productionAntagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP production
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
53321039 58400 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 338 7 1 4 3.7 Cc1cnc(CN(CCCCN)C2CCCc3cccnc32)c(C)c1 10.1016/j.bmcl.2011.01.021
CHEMBL1682859 58400 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 338 7 1 4 3.7 Cc1cnc(CN(CCCCN)C2CCCc3cccnc32)c(C)c1 10.1016/j.bmcl.2011.01.021
CHEMBL2372985 212791 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
10286987 8241 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 363 8 2 4 3.8 CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1092302 8241 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 363 8 2 4 3.8 CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
57345321 123963 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 407 9 2 5 3.0 NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627792 123963 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 407 9 2 5 3.0 NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
145951410 162949 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 387 6 1 9 3.5 CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4173028 162949 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 387 6 1 9 3.5 CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 10.1016/j.ejmech.2017.08.027
145948147 167844 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 236 3 1 6 1.6 CSc1nnc(-c2ccc(CN)nc2C)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4176412 167844 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 236 3 1 6 1.6 CSc1nnc(-c2ccc(CN)nc2C)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4302859 167844 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 236 3 1 6 1.6 CSc1nnc(-c2ccc(CN)nc2C)o1 10.1016/j.ejmech.2017.08.027
70924193 152185 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 538 7 1 5 5.6 CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 nan
CHEMBL3967679 152185 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 538 7 1 5 5.6 CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 nan
145949907 162939 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 421 6 3 6 1.9 OCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4172898 162939 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 421 6 3 6 1.9 OCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
70924201 150453 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 468 8 2 5 4.7 c1cnc2c(c1)CCCC2N(CCCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3953260 150453 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 468 8 2 5 4.7 c1cnc2c(c1)CCCC2N(CCCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 nan
44241788 151085 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 359 8 2 4 3.9 NCCCCN(Cc1ccccn1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3958373 151085 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 359 8 2 4 3.9 NCCCCN(Cc1ccccn1)Cc1nccc2c1[nH]c1ccccc12 nan
155539331 172943 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 328 6 1 2 4.3 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4514484 172943 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 328 6 1 2 4.3 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
57343753 123964 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 421 8 2 5 2.6 NCCCCN(C[C@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627793 123964 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 421 8 2 5 2.6 NCCCCN(C[C@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
122192964 123969 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 457 9 2 6 2.2 NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627858 123969 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 457 9 2 6 2.2 NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
122192968 123973 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 491 9 2 6 2.8 NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627862 123973 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 491 9 2 6 2.8 NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
25178353 191007 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 434 4 1 5 6.1 CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1 10.1021/jm801065q
CHEMBL518501 191007 None 0 Human Functional pIC50 = 8.7 8.7 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 434 4 1 5 6.1 CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1 10.1021/jm801065q
11718722 16663 None 12 Mouse Functional pIC50 = 8.7 8.7 1 4
Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Mouse Functional pIC50 = 8.7 8.7 1 4
Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
134816893 167613 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4214960 167613 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4299893 167613 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
11718722 16663 None 12 Human Functional pIC50 = 8.6 8.6 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Functional pIC50 = 8.6 8.6 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
138501462 182377 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 352 4 0 6 2.3 Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4783831 182377 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 352 4 0 6 2.3 Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
138501427 182786 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 396 7 1 7 2.6 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4789233 182786 None 0 Human Functional pIC50 = 8.6 8.6 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 396 7 1 7 2.6 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1 10.1016/j.ejmech.2020.112537
145951236 163008 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 4 1 5 3.4 CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4173977 163008 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 4 1 5 3.4 CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
25177631 58450 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 312 8 1 4 3.4 Cc1cnc(CN(CCCCN)C(C)c2ccccn2)c(C)c1 10.1016/j.bmcl.2011.01.021
CHEMBL1682992 58450 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 312 8 1 4 3.4 Cc1cnc(CN(CCCCN)C(C)c2ccccn2)c(C)c1 10.1016/j.bmcl.2011.01.021
59176569 144197 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 457 10 1 6 4.8 COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3903597 144197 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 457 10 1 6 4.8 COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
59176436 150109 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 11 2 7 4.0 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3950388 150109 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 11 2 7 4.0 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc21 nan
137637838 156182 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 454 10 2 4 5.0 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 10.1021/acs.jmedchem.7b01420
CHEMBL4062981 156182 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 454 10 2 4 5.0 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 10.1021/acs.jmedchem.7b01420
145960247 162332 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 403 4 2 5 2.7 CN(C[C@H]1Cc2c(cccc2N2C[C@H]3C[C@@H]2CN3)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4163467 162332 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 403 4 2 5 2.7 CN(C[C@H]1Cc2c(cccc2N2C[C@H]3C[C@@H]2CN3)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
71590315 164046 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 380 4 3 3 4.0 FC(F)(F)c1ccc(NC(=S)NCCc2ccc3c(n2)NCCC3)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL4207733 164046 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 380 4 3 3 4.0 FC(F)(F)c1ccc(NC(=S)NCCc2ccc3c(n2)NCCC3)cc1 10.1016/j.ejmech.2018.02.043
70924240 145518 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 468 7 1 5 4.6 CN1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)CC1 nan
CHEMBL3914182 145518 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 468 7 1 5 4.6 CN1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)CC1 nan
135313758 162937 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4172866 162937 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
21985109 56913 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 441 8 2 5 4.6 COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
CHEMBL1644075 56913 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 441 8 2 5 4.6 COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
53321859 56924 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 387 6 2 5 4.1 NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644089 56924 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 387 6 2 5 4.1 NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
53323183 56926 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 398 6 2 5 3.9 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644094 56926 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 398 6 2 5 3.9 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
59176357 148209 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 10 2 6 4.6 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3935318 148209 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 10 2 6 4.6 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
59176456 151523 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 540 10 2 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3961860 151523 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 540 10 2 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
135314108 162226 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 379 5 2 5 2.3 Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)c(C)c1 10.1021/acs.jmedchem.8b00450
CHEMBL4161589 162226 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 379 5 2 5 2.3 Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)c(C)c1 10.1021/acs.jmedchem.8b00450
145959135 162148 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 405 7 3 4 2.7 NC(=O)NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4160401 162148 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 405 7 3 4 2.7 NC(=O)NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
122192969 123974 None 0 Human Functional pIC50 = 4.7 4.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 436 8 3 5 3.0 NCCCCN(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627863 123974 None 0 Human Functional pIC50 = 4.7 4.7 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 436 8 3 5 3.0 NCCCCN(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
135314256 162695 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 342 8 2 4 2.5 NCCCCN(Cc1ncccc1F)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4169064 162695 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 342 8 2 4 2.5 NCCCCN(Cc1ncccc1F)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
59176517 150407 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 540 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3952929 150407 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 540 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc21 nan
59176401 147226 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 7 1 7 4.8 N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 nan
CHEMBL3927684 147226 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 7 1 7 4.8 N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 nan
59176576 146040 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 529 7 0 6 5.8 CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3918137 146040 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 529 7 0 6 5.8 CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
21984993 56908 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 415 6 2 4 4.6 NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644070 56908 None 0 Human Functional pIC50 = 6.7 6.7 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 415 6 2 4 4.6 NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
59176365 151555 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 457 9 2 6 4.3 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3962108 151555 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 457 9 2 6 4.3 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)O)c12)[C@H]1CCCc2cccnc21 nan
59176638 153293 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3977215 153293 None 0 Human Functional pIC50 = 7.7 7.7 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
137652982 158720 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 455 10 2 5 4.4 c1ccc2c(c1)CN[C@@H](CN(CCCCNCc1ccncc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4092405 158720 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 455 10 2 5 4.4 c1ccc2c(c1)CN[C@@H](CN(CCCCNCc1ccncc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL2372994 212796 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
44563689 189935 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 388 5 1 5 4.0 c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 10.1021/jm801065q
CHEMBL516480 189935 None 0 Human Functional pIC50 = 5.7 5.7 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 388 5 1 5 4.0 c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 10.1021/jm801065q
25177628 58444 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 298 8 1 4 3.1 Cc1cccnc1CN(CCCCN)C(C)c1ccccn1 10.1016/j.bmcl.2011.01.021
CHEMBL1682986 58444 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 298 8 1 4 3.1 Cc1cccnc1CN(CCCCN)C(C)c1ccccn1 10.1016/j.bmcl.2011.01.021
122192965 123970 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 457 9 2 6 2.2 NCCCCN(C[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627859 123970 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 457 9 2 6 2.2 NCCCCN(C[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
145953177 162587 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 5 1 5 3.4 CN(C[C@H]1Cc2c(cccc2N2CCN(C3CC3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4167324 162587 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 5 1 5 3.4 CN(C[C@H]1Cc2c(cccc2N2CCN(C3CC3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL2373001 212803 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
145954567 162601 None 0 Human Functional pIC50 = 6.6 6.6 100 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 416 6 2 4 4.3 NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CCCC1 10.1021/acsmedchemlett.7b00406
CHEMBL4167521 162601 None 0 Human Functional pIC50 = 6.6 6.6 100 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 416 6 2 4 4.3 NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CCCC1 10.1021/acsmedchemlett.7b00406
135313931 163084 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 324 8 2 4 2.3 NCCCCN(Cc1ccccn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4175319 163084 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 324 8 2 4 2.3 NCCCCN(Cc1ccccn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
57345322 123962 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 407 9 2 5 3.0 NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627791 123962 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 407 9 2 5 3.0 NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
146970182 190195 None 2 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 522 17 7 6 2.5 N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2022.114150
CHEMBL5172755 190195 None 2 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 522 17 7 6 2.5 N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2022.114150
135313960 162420 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 352 8 2 4 3.2 Cc1cccnc1[C@H](C)N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4164685 162420 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 352 8 2 4 3.2 Cc1cccnc1[C@H](C)N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
70965023 144584 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 567 10 1 8 4.1 c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 nan
CHEMBL3906863 144584 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 567 10 1 8 4.1 c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 nan
59176516 153713 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 567 10 1 8 4.1 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 nan
CHEMBL3980819 153713 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 567 10 1 8 4.1 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 nan
135314141 156822 None 0 Human Functional pIC50 = 7.6 7.6 -4 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 460 9 2 5 4.0 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCC1CCOCC1 10.1021/acs.jmedchem.7b01420
CHEMBL4070320 156822 None 0 Human Functional pIC50 = 7.6 7.6 -4 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 460 9 2 5 4.0 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCC1CCOCC1 10.1021/acs.jmedchem.7b01420
137647838 157677 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 392 7 2 4 4.0 CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
CHEMBL4080718 157677 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 392 7 2 4 4.0 CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
53324117 56928 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 373 5 2 5 4.1 NCc1cocc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644096 56928 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 373 5 2 5 4.1 NCc1cocc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
135313730 162835 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 3 1 5 3.2 CN1CCN(c2cccc3c2C[C@H](CN2CCC[C@H]4CCc5cccnc5[C@H]42)NC3)CC1 10.1021/acs.jmedchem.8b00450
CHEMBL4171365 162835 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 3 1 5 3.2 CN1CCN(c2cccc3c2C[C@H](CN2CCC[C@H]4CCc5cccnc5[C@H]42)NC3)CC1 10.1021/acs.jmedchem.8b00450
122192916 123959 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 317 7 3 5 1.1 NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627788 123959 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 317 7 3 5 1.1 NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
172470899 197185 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5440654 197185 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
59176485 151961 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 595 10 2 8 4.1 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)NC1CCOCC1 nan
CHEMBL3965617 151961 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 595 10 2 8 4.1 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)NC1CCOCC1 nan
11718722 16663 None 12 Human Functional pIC50 = 7.6 7.6 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Functional pIC50 = 7.6 7.6 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
145955884 162496 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 6 2 5 3.3 c1cnc2c(c1)CCC[C@@H]2N(CC1CC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
CHEMBL4165854 162496 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 6 2 5 3.3 c1cnc2c(c1)CCC[C@@H]2N(CC1CC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
135313980 162194 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 342 8 2 4 2.5 NCCCCN(Cc1ccc(F)cn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4161140 162194 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 342 8 2 4 2.5 NCCCCN(Cc1ccc(F)cn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
4410 3137 None 64 Human Functional pIC50 = 6.6 6.6 -338 6
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm300862u
65015 3137 None 64 Human Functional pIC50 = 6.6 6.6 -338 6
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm300862u
65015.0 3137 None 64 Human Functional pIC50 = 6.6 6.6 -338 6
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm300862u
844 3137 None 64 Human Functional pIC50 = 6.6 6.6 -338 6
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm300862u
CHEMBL18442 3137 None 64 Human Functional pIC50 = 6.6 6.6 -338 6
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm300862u
DB06809 3137 None 64 Human Functional pIC50 = 6.6 6.6 -338 6
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm300862u
145955694 162593 None 0 Human Functional pIC50 = 5.6 5.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 420 7 2 6 2.2 c1cnc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4167467 162593 None 0 Human Functional pIC50 = 5.6 5.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 420 7 2 6 2.2 c1cnc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
53321040 58404 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1ncccc1N)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682863 58404 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1ncccc1N)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
4410 3137 None 64 Human Functional pIC50 = 7.6 7.6 -338 6
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationAntagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
65015 3137 None 64 Human Functional pIC50 = 7.6 7.6 -338 6
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationAntagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
65015.0 3137 None 64 Human Functional pIC50 = 7.6 7.6 -338 6
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationAntagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
844 3137 None 64 Human Functional pIC50 = 7.6 7.6 -338 6
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationAntagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
CHEMBL18442 3137 None 64 Human Functional pIC50 = 7.6 7.6 -338 6
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationAntagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
DB06809 3137 None 64 Human Functional pIC50 = 7.6 7.6 -338 6
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationAntagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
59176475 143039 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 524 9 1 6 5.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3894168 143039 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 524 9 1 6 5.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc21 nan
145960175 162222 None 0 Human Functional pIC50 = 7.6 7.6 27 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4161528 162222 None 0 Human Functional pIC50 = 7.6 7.6 27 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
145958296 162376 None 0 Human Functional pIC50 = 7.6 7.6 38 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.4 C/C(=C/CN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4164075 162376 None 0 Human Functional pIC50 = 7.6 7.6 38 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.4 C/C(=C/CN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
21984983 8357 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 397 6 2 4 4.5 NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1093008 8357 None 0 Human Functional pIC50 = 7.6 7.6 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 397 6 2 4 4.5 NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
142416967 162851 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 404 5 2 4 4.0 N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
CHEMBL4171643 162851 None 0 Human Functional pIC50 = 6.6 6.6 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 404 5 2 4 4.0 N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
59176563 146326 None 0 Human Functional pIC50 = 5.6 5.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 442 5 1 6 5.1 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3920427 146326 None 0 Human Functional pIC50 = 5.6 5.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 442 5 1 6 5.1 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 nan
59176610 143142 None 0 Human Functional pIC50 = 5.6 5.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 617 12 1 8 5.3 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
CHEMBL3895085 143142 None 0 Human Functional pIC50 = 5.6 5.6 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 617 12 1 8 5.3 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
135313715 157035 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 503 9 2 5 5.4 c1ccc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)nc1 10.1021/acs.jmedchem.7b01420
CHEMBL4072645 157035 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 503 9 2 5 5.4 c1ccc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)nc1 10.1021/acs.jmedchem.7b01420
137643317 158508 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 448 9 2 5 4.0 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCOCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4090235 158508 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 448 9 2 5 4.0 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCOCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
145954818 162653 None 2 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 4 1 5 2.9 CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acs.jmedchem.8b00450
CHEMBL4168391 162653 None 2 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 4 1 5 2.9 CN1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acs.jmedchem.8b00450
155519969 170467 None 0 Human Functional pIC50 = 5.5 5.5 -2 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 492 8 1 6 6.8 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(Cl)c2o1 10.1016/j.bmc.2019.115091
CHEMBL4447627 170467 None 0 Human Functional pIC50 = 5.5 5.5 -2 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 492 8 1 6 6.8 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(Cl)c2o1 10.1016/j.bmc.2019.115091
135313976 162661 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1 10.1021/acsmedchemlett.7b00381
CHEMBL4168512 162661 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1 10.1021/acsmedchemlett.7b00381
135313773 157280 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 10.1021/acs.jmedchem.7b01420
CHEMBL4075694 157280 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 10.1021/acs.jmedchem.7b01420
57345320 3832 None 11 Human Functional pIC50 = 8.5 8.5 34 7
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
9882 3832 None 11 Human Functional pIC50 = 8.5 8.5 34 7
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.5 8.5 34 7
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
76331766 103887 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 407 8 3 4 2.9 NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091685 103887 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 407 8 3 4 2.9 NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
25178136 189048 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL508054 189048 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
4410 3137 None 64 Human Functional pIC50 = 8.5 8.5 -338 6
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
65015 3137 None 64 Human Functional pIC50 = 8.5 8.5 -338 6
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
65015.0 3137 None 64 Human Functional pIC50 = 8.5 8.5 -338 6
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
844 3137 None 64 Human Functional pIC50 = 8.5 8.5 -338 6
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
CHEMBL18442 3137 None 64 Human Functional pIC50 = 8.5 8.5 -338 6
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
DB06809 3137 None 64 Human Functional pIC50 = 8.5 8.5 -338 6
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
11718722 16663 None 12 Human Functional pIC50 = 8.5 8.5 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Functional pIC50 = 8.5 8.5 -1 4
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
145963140 162287 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 4 1 5 3.4 CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4162609 162287 None 0 Human Functional pIC50 = 8.5 8.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 431 4 1 5 3.4 CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
137635041 156113 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 482 9 2 4 5.4 FC1(F)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4062223 156113 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 482 9 2 4 5.4 FC1(F)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
70924213 143617 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3898910 143617 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
59176413 143704 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 10 2 7 3.6 NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3899664 143704 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 10 2 7 3.6 NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc43)c21 nan
59176465 144045 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 9 1 7 4.0 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)CC1 nan
CHEMBL3902493 144045 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 9 1 7 4.0 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)CC1 nan
145952723 162574 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 469 5 1 7 3.2 CN(C[C@H]1Cc2c(cccc2N2CCN(c3ncccn3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4167145 162574 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 469 5 1 7 3.2 CN(C[C@H]1Cc2c(cccc2N2CCN(c3ncccn3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
3001322 443 None 22 Human Functional pIC50 = 4.5 4.5 -75857 4
Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilizationAntagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilization
ChEMBL 577 10 3 6 4.6 CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O 10.1016/j.bmc.2011.05.022
805 443 None 22 Human Functional pIC50 = 4.5 4.5 -75857 4
Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilizationAntagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilization
ChEMBL 577 10 3 6 4.6 CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O 10.1016/j.bmc.2011.05.022
CHEMBL1255794 443 None 22 Human Functional pIC50 = 4.5 4.5 -75857 4
Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilizationAntagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilization
ChEMBL 577 10 3 6 4.6 CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O 10.1016/j.bmc.2011.05.022
DB06497 443 None 22 Human Functional pIC50 = 4.5 4.5 -75857 4
Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilizationAntagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilization
ChEMBL 577 10 3 6 4.6 CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O 10.1016/j.bmc.2011.05.022
25178142 190694 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 430 4 1 5 5.2 C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 10.1021/jm801065q
CHEMBL518041 190694 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 430 4 1 5 5.2 C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 10.1021/jm801065q
59176389 145845 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3916633 145845 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc21 nan
145957239 162252 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 391 4 2 5 2.5 CN(C[C@@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4162011 162252 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 391 4 2 5 2.5 CN(C[C@@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
145953325 162511 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 4 1 5 2.9 CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1C)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4166059 162511 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 405 4 1 5 2.9 CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1C)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
145971507 163203 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 6 2 5 3.3 CCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4177130 163203 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 6 2 5 3.3 CCCN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
25147749 2094 None 18 Human Functional pIC50 = 7.5 7.5 -18 2
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.0c00444
2899 2094 None 18 Human Functional pIC50 = 7.5 7.5 -18 2
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.0c00444
CHEMBL460491 2094 None 18 Human Functional pIC50 = 7.5 7.5 -18 2
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.0c00444
46204212 8294 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 363 6 2 4 3.1 NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1092629 8294 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 363 6 2 4 3.1 NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
44242331 152270 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 390 8 1 6 3.5 Cn1c(CN(CCCCN)C2CCCc3cccnc32)nnc1-c1ccccc1 nan
CHEMBL3968349 152270 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 390 8 1 6 3.5 Cn1c(CN(CCCCN)C2CCCc3cccnc32)nnc1-c1ccccc1 nan
135314218 162926 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 356 8 2 4 2.8 Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 10.1021/acsmedchemlett.7b00381
CHEMBL4172727 162926 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 356 8 2 4 2.8 Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 10.1021/acsmedchemlett.7b00381
25147749 2094 None 18 Human Functional pIC50 = 4.5 4.5 -18 2
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1039/c9md00433e
2899 2094 None 18 Human Functional pIC50 = 4.5 4.5 -18 2
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1039/c9md00433e
CHEMBL460491 2094 None 18 Human Functional pIC50 = 4.5 4.5 -18 2
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1039/c9md00433e
59176593 143396 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 515 6 0 6 5.4 CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3897144 143396 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 515 6 0 6 5.4 CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
145971189 163111 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 447 8 1 5 3.5 CCN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
CHEMBL4175653 163111 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 447 8 1 5 3.5 CCN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
146398479 184578 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 405 4 2 5 3.0 CN(C[C@H]1Cc2c(cccc2N2CCC(N)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4846946 184578 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 405 4 2 5 3.0 CN(C[C@H]1Cc2c(cccc2N2CCC(N)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
145960079 162442 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 4 2 5 3.3 CN(C[C@H]1Cc2c(cccc2N2CCNC(C)(C)C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4164970 162442 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 4 2 5 3.3 CN(C[C@H]1Cc2c(cccc2N2CCNC(C)(C)C2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
162652106 180408 None 0 Human Functional pIC50 = 5.5 5.5 -123 2
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 1090 24 7 15 5.0 CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 10.1039/c9md00433e
CHEMBL4750948 180408 None 0 Human Functional pIC50 = 5.5 5.5 -123 2
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 1090 24 7 15 5.0 CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 10.1039/c9md00433e
135313757 163158 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 374 8 2 4 3.5 NCCCCN(Cc1cc2ccccc2cn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4176370 163158 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 374 8 2 4 3.5 NCCCCN(Cc1cc2ccccc2cn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
59176471 151765 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 7 2 5 4.3 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2c(cn1)[nH]c1ccccc12 nan
CHEMBL3964095 151765 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 7 2 5 4.3 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1cc2c(cn1)[nH]c1ccccc12 nan
59176496 149543 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.8 CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3946029 149543 None 0 Human Functional pIC50 = 5.5 5.5 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.8 CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc21 nan
142416884 163069 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 390 4 2 4 3.7 N[C@H]1CC[C@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
CHEMBL4175088 163069 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 390 4 2 4 3.7 N[C@H]1CC[C@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
145955917 162578 None 0 Human Functional pIC50 = 6.5 6.5 29 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 418 6 2 4 4.2 NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
CHEMBL4167221 162578 None 0 Human Functional pIC50 = 6.5 6.5 29 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 418 6 2 4 4.2 NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
53321037 58397 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1ccc(CN(CCCCN)C2CCCc3cccnc32)nc1 10.1016/j.bmcl.2011.01.021
CHEMBL1682856 58397 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1ccc(CN(CCCCN)C2CCCc3cccnc32)nc1 10.1016/j.bmcl.2011.01.021
122192922 123966 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 411 8 2 6 2.2 NCCCCN(C[C@@H]1CN(C(=O)c2ccco2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627798 123966 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 411 8 2 6 2.2 NCCCCN(C[C@@H]1CN(C(=O)c2ccco2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
146398482 186586 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 433 5 1 5 3.6 CN(C)C1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acsmedchemlett.1c00449
CHEMBL4876951 186586 None 0 Human Functional pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 433 5 1 5 3.6 CN(C)C1CCN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acsmedchemlett.1c00449
72546061 103890 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 9 1 5 4.5 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091689 103890 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 9 1 5 4.5 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
71451639 82207 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 10.1021/jm300862u
CHEMBL2170298 82207 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 10.1021/jm300862u
CHEMBL2170444 82207 None 0 Human Functional pIC50 = 6.5 6.5 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 10.1021/jm300862u
155569501 176296 None 0 Human Functional pIC50 = 5.5 5.5 1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 450 7 1 6 5.9 c1ccc(-c2nnn[nH]2)c(-c2ccc(CN(CC3CCCC3)c3nc4ccccc4o3)cc2)c1 10.1016/j.bmc.2019.115091
CHEMBL4593522 176296 None 0 Human Functional pIC50 = 5.5 5.5 1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 450 7 1 6 5.9 c1ccc(-c2nnn[nH]2)c(-c2ccc(CN(CC3CCCC3)c3nc4ccccc4o3)cc2)c1 10.1016/j.bmc.2019.115091
70924216 149646 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 425 5 2 4 5.0 c1cnc2c(c1)CCC[C@@H]2N(Cc1nccc2c1[nH]c1ccccc12)CC1CCCNC1 nan
CHEMBL3946745 149646 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 425 5 2 4 5.0 c1cnc2c(c1)CCC[C@@H]2N(Cc1nccc2c1[nH]c1ccccc12)CC1CCCNC1 nan
137633531 156371 None 0 Human Functional pIC50 = 7.4 7.4 -1 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 476 9 2 5 4.7 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 10.1021/acs.jmedchem.7b01420
CHEMBL4065224 156371 None 0 Human Functional pIC50 = 7.4 7.4 -1 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 476 9 2 5 4.7 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 10.1021/acs.jmedchem.7b01420
137651429 157374 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 461 10 3 5 3.8 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4076841 157374 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 461 10 3 5 3.8 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
145949949 162994 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 5 2 5 3.3 CC(C)N(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4173777 162994 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 5 2 5 3.3 CC(C)N(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
172470899 197185 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5440654 197185 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
59176557 146995 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 568 9 1 8 5.1 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3925646 146995 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 568 9 1 8 5.1 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
70924238 151919 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 502 6 2 5 5.6 c1ccc(N2CCNCC2)c(CN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)c1 nan
CHEMBL3965386 151919 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 502 6 2 5 5.6 c1ccc(N2CCNCC2)c(CN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)c1 nan
53321038 58399 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 338 7 1 4 3.7 Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc32)c1 10.1016/j.bmcl.2011.01.021
CHEMBL1682858 58399 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 338 7 1 4 3.7 Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc32)c1 10.1016/j.bmcl.2011.01.021
70924219 152762 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 470 8 2 4 5.0 CN(C)C(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
CHEMBL3972688 152762 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 470 8 2 4 5.0 CN(C)C(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21 nan
2795811 29174 None 18 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 275 2 0 5 3.2 CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 10.1016/j.ejmech.2017.08.027
CHEMBL1381819 29174 None 18 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 275 2 0 5 3.2 CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1 10.1016/j.ejmech.2017.08.027
142416935 163075 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 447 5 1 6 2.6 CN(C[C@H]1Cc2c(cccc2N2CCN(C3COC3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4175201 163075 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 447 5 1 6 2.6 CN(C[C@H]1Cc2c(cccc2N2CCN(C3COC3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
172439799 194955 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1493 48 23 21 -4.3 CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5393986 194955 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 1493 48 23 21 -4.3 CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
20725627 56915 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 455 7 2 6 4.3 COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
CHEMBL1644077 56915 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 455 7 2 6 4.3 COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
122192967 123972 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 513 9 2 7 3.4 NCCCCN(C[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627861 123972 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 513 9 2 7 3.4 NCCCCN(C[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
72546065 103894 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 378 7 1 4 3.6 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091693 103894 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 378 7 1 4 3.6 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
155567133 175983 None 0 Human Functional pIC50 = 5.4 5.4 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 472 8 1 6 6.4 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(C)c2o1 10.1016/j.bmc.2019.115091
CHEMBL4586253 175983 None 0 Human Functional pIC50 = 5.4 5.4 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 472 8 1 6 6.4 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)cc(C)c2o1 10.1016/j.bmc.2019.115091
76335355 103886 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 406 8 2 4 3.4 CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091684 103886 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 406 8 2 4 3.4 CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
59176550 144896 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 11 2 7 4.0 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3909409 144896 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 11 2 7 4.0 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc21 nan
59176372 150937 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 10 1 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3957139 150937 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 10 1 7 4.5 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
59176621 152970 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 453 9 1 5 5.6 NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3974510 152970 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 453 9 1 5 5.6 NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc21 nan
11718722 16663 None 12 Rat Functional pIC50 = 8.4 8.4 -2 4
Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Rat Functional pIC50 = 8.4 8.4 -2 4
Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
145957599 162083 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 482 6 1 6 3.8 CN(C[C@H]1Cc2c(cccc2N2CCN(Cc3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4159234 162083 None 0 Human Functional pIC50 = 8.4 8.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 482 6 1 6 3.8 CN(C[C@H]1Cc2c(cccc2N2CCN(Cc3ccccn3)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
138501437 183273 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 366 4 0 6 2.6 Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 10.1016/j.ejmech.2020.112537
CHEMBL4795444 183273 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 366 4 0 6 2.6 Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 10.1016/j.ejmech.2020.112537
135314390 158564 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 453 9 2 5 4.2 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccncc1 10.1021/acs.jmedchem.7b01420
CHEMBL4090772 158564 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 453 9 2 5 4.2 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccncc1 10.1021/acs.jmedchem.7b01420
46189876 163631 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 349 4 3 4 3.3 Cn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21 10.1016/j.ejmech.2018.02.043
CHEMBL4202860 163631 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 349 4 3 4 3.3 Cn1ccc2c(NC(=O)NCCc3ccc4c(n3)NCCC4)cccc21 10.1016/j.ejmech.2018.02.043
59176611 152522 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 579 9 1 7 4.8 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCCCC1 nan
CHEMBL3970736 152522 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 579 9 1 7 4.8 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCCCC1 nan
142416759 162959 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 392 8 2 4 3.4 NCCCCN(Cc1ncccc1C(F)(F)F)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4173145 162959 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 392 8 2 4 3.4 NCCCCN(Cc1ncccc1C(F)(F)F)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
172441806 195484 None 0 Human Functional pIC50 = 4.4 4.4 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1499 47 23 19 -3.5 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5404609 195484 None 0 Human Functional pIC50 = 4.4 4.4 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1499 47 23 19 -3.5 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
59176414 143427 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 500 10 1 7 3.7 CC(c1ccccn1)N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 nan
CHEMBL3897384 143427 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 500 10 1 7 3.7 CC(c1ccccn1)N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 nan
137640446 157134 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 490 10 2 5 4.9 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNCC1CCOCC1 10.1021/acs.jmedchem.7b01420
CHEMBL4073818 157134 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 490 10 2 5 4.9 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNCC1CCOCC1 10.1021/acs.jmedchem.7b01420
135313705 162256 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 366 7 1 6 2.0 c1cnc(CN(CCCN2CCNCC2)[C@H]2CCCc3cccnc32)nc1 10.1021/acsmedchemlett.8b00030
CHEMBL4162125 162256 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 366 7 1 6 2.0 c1cnc(CN(CCCN2CCNCC2)[C@H]2CCCc3cccnc32)nc1 10.1021/acsmedchemlett.8b00030
172452641 195843 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1443 45 23 19 -4.1 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5411776 195843 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1443 45 23 19 -4.1 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
25178569 177098 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 434 4 1 5 5.9 CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 10.1021/jm801065q
CHEMBL462588 177098 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 434 4 1 5 5.9 CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 10.1021/jm801065q
59176519 145881 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3916930 145881 None 0 Human Functional pIC50 = 5.4 5.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc21 nan
4410 3137 None 64 Human Functional pIC50 = 7.4 7.4 -338 6
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2017.08.027
65015 3137 None 64 Human Functional pIC50 = 7.4 7.4 -338 6
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2017.08.027
65015.0 3137 None 64 Human Functional pIC50 = 7.4 7.4 -338 6
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2017.08.027
844 3137 None 64 Human Functional pIC50 = 7.4 7.4 -338 6
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2017.08.027
CHEMBL18442 3137 None 64 Human Functional pIC50 = 7.4 7.4 -338 6
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2017.08.027
DB06809 3137 None 64 Human Functional pIC50 = 7.4 7.4 -338 6
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2017.08.027
145951963 163097 None 0 Human Functional pIC50 = 7.4 7.4 199 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4175500 163097 None 0 Human Functional pIC50 = 7.4 7.4 199 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
25177627 58407 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 344 7 1 4 3.7 NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682866 58407 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 344 7 1 4 3.7 NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
89667390 142524 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 580 10 1 8 4.8 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)C1CCOCC1 nan
CHEMBL3890057 142524 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 580 10 1 8 4.8 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)C1CCOCC1 nan
59176455 145965 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 641 11 1 8 5.4 O=C1c2ccccc2C(=O)N1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3917572 145965 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 641 11 1 8 5.4 O=C1c2ccccc2C(=O)N1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
59176424 149849 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 581 9 1 8 3.6 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
CHEMBL3948247 149849 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 581 9 1 8 3.6 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
59176442 151606 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 594 11 2 8 3.6 O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3962780 151606 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 594 11 2 8 3.6 O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
46884785 8293 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 359 7 1 4 4.5 N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1092628 8293 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 359 7 1 4 4.5 N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
135313919 162229 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 7 2 5 3.1 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2[nH]1 10.1021/acsmedchemlett.8b00030
CHEMBL4161613 162229 None 0 Human Functional pIC50 = 7.4 7.4 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 404 7 2 5 3.1 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2[nH]1 10.1021/acsmedchemlett.8b00030
137647645 157743 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 496 9 2 6 3.4 O=S1(=O)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4081436 157743 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 496 9 2 6 3.4 O=S1(=O)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
70924169 148689 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 453 10 2 4 5.8 c1cnc2c(c1)CCC[C@@H]2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3939176 148689 None 0 Human Functional pIC50 = 6.4 6.4 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 453 10 2 4 5.8 c1cnc2c(c1)CCC[C@@H]2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 nan
172455736 196150 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1167 37 18 14 -2.3 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5417672 196150 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1167 37 18 14 -2.3 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 10.1021/acs.jmedchem.3c01128
172463834 196862 None 0 Human Functional pIC50 = 4.3 4.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
CHEMBL5433597 196862 None 0 Human Functional pIC50 = 4.3 4.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
59176428 152301 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 489 9 1 5 6.3 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3968668 152301 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 489 9 1 5 6.3 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21 nan
152829285 185341 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 420 5 2 6 2.7 CN1CCN(Nc2cccc3c2C[C@@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acsmedchemlett.1c00449
CHEMBL4858136 185341 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 420 5 2 6 2.7 CN1CCN(Nc2cccc3c2C[C@@H](CN(C)[C@H]2CCCc4cccnc42)NC3)CC1 10.1021/acsmedchemlett.1c00449
137647643 157731 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 546 12 1 6 5.7 c1cncc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2cccnc2)c1 10.1021/acs.jmedchem.7b01420
CHEMBL4081338 157731 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 546 12 1 6 5.7 c1cncc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2cccnc2)c1 10.1021/acs.jmedchem.7b01420
172467966 197002 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5436512 197002 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
59176397 152162 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3967462 152162 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc21 nan
145974804 163171 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 350 9 2 4 3.0 C=Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4176514 163171 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 350 9 2 4 3.0 C=Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
4410 3137 None 64 Human Functional pIC50 = 7.3 7.3 -338 6
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
65015 3137 None 64 Human Functional pIC50 = 7.3 7.3 -338 6
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
65015.0 3137 None 64 Human Functional pIC50 = 7.3 7.3 -338 6
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
844 3137 None 64 Human Functional pIC50 = 7.3 7.3 -338 6
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
CHEMBL18442 3137 None 64 Human Functional pIC50 = 7.3 7.3 -338 6
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
DB06809 3137 None 64 Human Functional pIC50 = 7.3 7.3 -338 6
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293FT cells by beta-arrestin2 recruitment based BRET assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.3c01128
53318414 58401 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682860 58401 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
59176467 151994 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 10 1 7 4.4 COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3966015 151994 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 10 1 7 4.4 COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
72546063 103892 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 445 9 1 6 4.1 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091691 103892 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 445 9 1 6 4.1 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
25178134 174267 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 350 4 1 5 3.8 C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL454689 174267 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 350 4 1 5 3.8 C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
145955745 162655 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 509 6 2 5 4.7 FC1(F)CCC(CN(C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.8b00450
CHEMBL4168418 162655 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 509 6 2 5 4.7 FC1(F)CCC(CN(C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.8b00450
11256587 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.8b00030
11256587.0 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.8b00030
8580 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.8b00030
CHEMBL518924 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.8b00030
DB05501 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.8b00030
53320374 56910 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 427 7 2 5 4.5 COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
CHEMBL1644072 56910 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 427 7 2 5 4.5 COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
53316607 56917 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 454 8 2 6 4.5 CO/N=C/c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
CHEMBL1644079 56917 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 454 8 2 6 4.5 CO/N=C/c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
59176450 145310 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 2 7 4.1 NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3912613 145310 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 2 7 4.1 NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
11256587 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.1c00449
11256587.0 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.1c00449
8580 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.1c00449
CHEMBL518924 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.1c00449
DB05501 2462 None 36 Human Functional pIC50 = 8.3 8.3 389 4
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/acsmedchemlett.1c00449
25178563 174349 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 434 4 1 5 6.2 C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL454896 174349 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 434 4 1 5 6.2 C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
23653628 63831 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 562 11 2 9 3.4 CCOCCN1CCN(C(=O)c2cnc(NCc3ccc(CNc4ncc(F)cn4)cc3)nc2C(F)(F)F)CC1 10.1021/jm100786g
CHEMBL1802329 63831 None 0 Human Functional pIC50 = 8.3 8.3 - 1
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 562 11 2 9 3.4 CCOCCN1CCN(C(=O)c2cnc(NCc3ccc(CNc4ncc(F)cn4)cc3)nc2C(F)(F)F)CC1 10.1021/jm100786g
145953403 162609 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 459 8 1 5 3.6 c1ccc2c(c1)CN[C@@H](CN(CCCN1CCN(C3CC3)CC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4167654 162609 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 459 8 1 5 3.6 c1ccc2c(c1)CN[C@@H](CN(CCCN1CCN(C3CC3)CC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
21984983 8357 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1093008 8357 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
25147749 2094 None 18 Human Functional pIC50 = 7.3 7.3 -18 2
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
2899 2094 None 18 Human Functional pIC50 = 7.3 7.3 -18 2
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL460491 2094 None 18 Human Functional pIC50 = 7.3 7.3 -18 2
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL2372997 212799 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
137647336 158070 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
CHEMBL4084920 158070 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
CHEMBL1956255 211563 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmcl.2012.01.134
21985149 56909 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 465 6 2 4 5.5 NCc1cc(C(F)(F)F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644071 56909 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 465 6 2 4 5.5 NCc1cc(C(F)(F)F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
135314362 162513 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 365 5 2 5 1.9 Cc1ccc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)nc1 10.1021/acs.jmedchem.8b00450
CHEMBL4166081 162513 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 365 5 2 5 1.9 Cc1ccc(CN(C)C[C@H]2Cc3c(cccc3N3CCNCC3)CN2)nc1 10.1021/acs.jmedchem.8b00450
70923310 153261 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 10 2 5 6.0 c1ccc(CNCCCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)nc1 nan
CHEMBL3976878 153261 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 10 2 5 6.0 c1ccc(CNCCCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)nc1 nan
46204209 8286 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 363 8 2 4 4.0 NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1092596 8286 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 363 8 2 4 4.0 NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
137640474 157178 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 462 10 2 5 4.3 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCOCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4074366 157178 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 462 10 2 5 4.3 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCOCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
25178347 176871 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 372 4 1 5 4.8 C1=C(CS/C(=N\C2CCCCC2)Nc2ccccc2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL460482 176871 None 0 Human Functional pIC50 = 5.3 5.3 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 372 4 1 5 4.8 C1=C(CS/C(=N\C2CCCCC2)Nc2ccccc2)N2CCN=C2S1 10.1021/jm801065q
53322385 58398 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 10.1016/j.bmcl.2011.01.021
CHEMBL1682857 58398 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1 10.1016/j.bmcl.2011.01.021
162669065 182844 None 0 Human Functional pIC50 = 4.3 4.3 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 750 19 5 11 2.5 CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 10.1021/acsmedchemlett.0c00444
CHEMBL4789939 182844 None 0 Human Functional pIC50 = 4.3 4.3 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 750 19 5 11 2.5 CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(\NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 10.1021/acsmedchemlett.0c00444
145953739 162765 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 447 7 0 5 3.5 CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2C)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
CHEMBL4170141 162765 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 447 7 0 5 3.5 CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2C)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
137633431 156632 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 464 9 2 5 4.7 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCSCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4068122 156632 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 464 9 2 5 4.7 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCSCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
137644813 158195 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 502 9 2 4 6.5 CC1(C)CCC(NCC(C)(C)CCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4086662 158195 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 502 9 2 4 6.5 CC1(C)CCC(NCC(C)(C)CCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
70924198 142868 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 2 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3892756 142868 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 2 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
155550367 174394 None 0 Human Functional pIC50 = 5.3 5.3 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 472 8 1 6 6.4 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)c(C)cc2o1 10.1016/j.bmc.2019.115091
CHEMBL4549880 174394 None 0 Human Functional pIC50 = 5.3 5.3 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 472 8 1 6 6.4 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(Cl)c(C)cc2o1 10.1016/j.bmc.2019.115091
145953342 162537 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 405 6 2 5 2.4 c1ccc2c(c1)CN[C@@H](CN(CCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4166456 162537 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 405 6 2 5 2.4 c1ccc2c(c1)CN[C@@H](CN(CCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
72545830 103889 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 9 1 5 4.5 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091688 103889 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 9 1 5 4.5 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
72535480 147435 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
CHEMBL3929341 147435 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
59176449 150450 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3953230 150450 None 0 Human Functional pIC50 = 7.3 7.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
155538284 172502 None 0 Human Functional pIC50 = 5.3 5.3 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 9 1 6 5.9 CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 10.1016/j.bmc.2019.115091
CHEMBL4476545 172502 None 0 Human Functional pIC50 = 5.3 5.3 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 9 1 6 5.9 CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 10.1016/j.bmc.2019.115091
70924218 146475 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 417 7 2 4 4.9 NCCCCN(Cc1nccc2c1[nH]c1cc(F)ccc12)C1CCCc2cccnc21 nan
CHEMBL3921613 146475 None 0 Human Functional pIC50 = 6.3 6.3 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 417 7 2 4 4.9 NCCCCN(Cc1nccc2c1[nH]c1cc(F)ccc12)C1CCCc2cccnc21 nan
172447516 195925 None 0 Human Functional pIC50 = 4.3 4.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5413479 195925 None 0 Human Functional pIC50 = 4.3 4.3 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
25178766 189953 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 10.1021/jm801065q
CHEMBL516630 189953 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 10.1021/jm801065q
59176510 148974 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 nan
CHEMBL3941582 148974 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 nan
72546064 103893 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 491 9 1 6 2.8 NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091692 103893 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 491 9 1 6 2.8 NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
60202207 107559 None 0 Human Functional pIC50 = 4.2 4.2 - 1
PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory) PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory)
ChEMBL 454 8 1 6 4.0 COc1ccc(CN2C3CCCC2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 nan
CHEMBL3185809 107559 None 0 Human Functional pIC50 = 4.2 4.2 - 1
PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory) PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory)
ChEMBL 454 8 1 6 4.0 COc1ccc(CN2C3CCCC2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 nan
135313789 162205 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 374 8 2 4 3.5 NCCCCN(Cc1ccc2ccccc2n1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4161263 162205 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 374 8 2 4 3.5 NCCCCN(Cc1ccc2ccccc2n1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
135314251 157803 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 453 9 2 5 4.2 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccccn1 10.1021/acs.jmedchem.7b01420
CHEMBL4081958 157803 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 453 9 2 5 4.2 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccccn1 10.1021/acs.jmedchem.7b01420
59176494 142919 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 500 10 1 7 3.5 Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 nan
CHEMBL3893083 142919 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 500 10 1 7 3.5 Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 nan
59176557 146995 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 568 9 1 8 5.1 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3925646 146995 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 568 9 1 8 5.1 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
1098331 195550 None 8 Human Functional pIC50 = 6.2 6.2 -1 2
Antagonist activity at SDF-1-activated CXCR4 (unknown origin) overexpressed in human U2OS cells preincubated for 30 mins followed by SDF-1 addition measured after 5 hrs by beta-lactamase reporter gene assayAntagonist activity at SDF-1-activated CXCR4 (unknown origin) overexpressed in human U2OS cells preincubated for 30 mins followed by SDF-1 addition measured after 5 hrs by beta-lactamase reporter gene assay
ChEMBL 372 4 1 7 3.0 COc1cc(NS(=O)(=O)c2cccc3nsnc23)c2ncccc2c1 10.1016/j.ejmech.2023.115175
CHEMBL5405836 195550 None 8 Human Functional pIC50 = 6.2 6.2 -1 2
Antagonist activity at SDF-1-activated CXCR4 (unknown origin) overexpressed in human U2OS cells preincubated for 30 mins followed by SDF-1 addition measured after 5 hrs by beta-lactamase reporter gene assayAntagonist activity at SDF-1-activated CXCR4 (unknown origin) overexpressed in human U2OS cells preincubated for 30 mins followed by SDF-1 addition measured after 5 hrs by beta-lactamase reporter gene assay
ChEMBL 372 4 1 7 3.0 COc1cc(NS(=O)(=O)c2cccc3nsnc23)c2ncccc2c1 10.1016/j.ejmech.2023.115175
145950272 162842 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 366 7 2 5 2.7 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc21 10.1021/acsmedchemlett.7b00381
CHEMBL4171469 162842 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 366 7 2 5 2.7 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc21 10.1021/acsmedchemlett.7b00381
57345320 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00030
9882 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00030
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00030
57343752 123965 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 421 8 2 5 2.6 NCCCCN(C[C@@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627794 123965 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 421 8 2 5 2.6 NCCCCN(C[C@@H]1CN(C(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
145950976 162923 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 391 4 2 5 2.5 CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
CHEMBL4172669 162923 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 391 4 2 5 2.5 CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.8b00450
4410 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
65015 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
65015.0 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
844 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
CHEMBL18442 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
DB06809 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
4410 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112537
65015 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112537
65015.0 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112537
844 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112537
CHEMBL18442 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112537
DB06809 3137 None 64 Human Functional pIC50 = 8.2 8.2 -338 6
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112537
57345320 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.8b00450
9882 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.8b00450
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.8b00450
57345320 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.1c00449
9882 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.1c00449
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.1c00449
57345320 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.7b01420
9882 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.7b01420
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acs.jmedchem.7b01420
145956824 162355 None 0 Human Functional pIC50 = 8.2 8.2 1412 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.1 NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4163770 162355 None 0 Human Functional pIC50 = 8.2 8.2 1412 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.1 NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
25178138 196120 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL541728 196120 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
11718722 16663 None 12 Human Functional pIC50 = 8.2 8.2 -1 4
Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Functional pIC50 = 8.2 8.2 -1 4
Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
53319240 56922 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 403 6 2 5 4.6 NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644085 56922 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 403 6 2 5 4.6 NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
135313574 159384 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 503 9 2 5 5.4 c1cncc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)c1 10.1021/acs.jmedchem.7b01420
CHEMBL4099550 159384 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 503 9 2 5 5.4 c1cncc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)c1 10.1021/acs.jmedchem.7b01420
70887131 163999 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 346 4 3 3 4.0 O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12 10.1016/j.ejmech.2018.02.043
CHEMBL4207204 163999 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 346 4 3 3 4.0 O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12 10.1016/j.ejmech.2018.02.043
70887095 164390 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 364 4 3 3 3.8 O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL4212087 164390 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 364 4 3 3 3.8 O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2018.02.043
60202254 107578 None 7 Human Functional pIC50 = 4.2 4.2 - 1
PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory) PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory)
ChEMBL 501 8 2 6 4.1 COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC nan
CHEMBL3186994 107578 None 7 Human Functional pIC50 = 4.2 4.2 - 1
PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory) PubChem BioAssay. SAR analysis of small molecule antagonists of the CXCR6 receptor using a CXCR4 receptor luminescent beta-arrestin counterscreen. (Class of assay: confirmatory)
ChEMBL 501 8 2 6 4.1 COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC nan
145959142 162155 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 4 2 5 3.3 C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1 10.1021/acs.jmedchem.8b00450
CHEMBL4160496 162155 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 419 4 2 5 3.3 C[C@H]1CN(c2cccc3c2C[C@H](CN(C)[C@H]2CCCc4cccnc42)NC3)C[C@@H](C)N1 10.1021/acs.jmedchem.8b00450
59176434 149808 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 558 9 1 7 3.8 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CC[S+]([O-])CC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3947926 149808 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 558 9 1 7 3.8 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CC[S+]([O-])CC3)c12)[C@H]1CCCc2cccnc21 nan
135313576 162643 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.9 C[C@@H](c1ccccn1)N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4168126 162643 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.9 C[C@@H](c1ccccn1)N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
145963537 162127 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 461 8 1 5 3.9 CC(C)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
CHEMBL4159991 162127 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 461 8 1 5 3.9 CC(C)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
4410 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
65015 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
65015.0 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
844 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
CHEMBL18442 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
DB06809 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assayAntagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
59176438 149946 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 595 9 0 8 4.0 CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 nan
CHEMBL3949024 149946 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 595 9 0 8 4.0 CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CC1 nan
53319746 58405 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 352 8 1 4 4.2 CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682864 58405 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 352 8 1 4 4.2 CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
70924198 142868 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 2 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3892756 142868 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 10 2 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
137641652 158420 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 447 9 3 5 3.6 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4089307 158420 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 447 9 3 5 3.6 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
135314326 162258 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 358 8 2 4 3.0 NCCCCN(Cc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4162203 162258 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 358 8 2 4 3.0 NCCCCN(Cc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
135314329 159297 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 472 8 2 4 5.6 CC1(C)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4098635 159297 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 472 8 2 4 5.6 CC1(C)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
145957365 162092 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 390 5 2 4 3.5 c1ccc2c(c1)CN[C@@H](CN(CC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4159410 162092 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 390 5 2 4 3.5 c1ccc2c(c1)CN[C@@H](CN(CC1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
145958093 162074 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 433 8 2 5 3.2 c1ccc2c(c1)CN[C@@H](CN(CCCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4159150 162074 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 433 8 2 5 3.2 c1ccc2c(c1)CN[C@@H](CN(CCCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
25177629 58448 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 298 8 1 4 3.1 Cc1ccc(CN(CCCCN)C(C)c2ccccn2)nc1 10.1016/j.bmcl.2011.01.021
CHEMBL1682990 58448 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 298 8 1 4 3.1 Cc1ccc(CN(CCCCN)C(C)c2ccccn2)nc1 10.1016/j.bmcl.2011.01.021
72546062 103891 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 9 1 5 4.5 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091690 103891 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 9 1 5 4.5 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
135313618 156054 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 522 8 2 4 6.7 CC1(C)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4061381 156054 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 522 8 2 4 6.7 CC1(C)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1 10.1021/acs.jmedchem.7b01420
70924083 145372 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 9 2 7 3.6 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3913028 145372 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 525 9 2 7 3.6 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
137644335 158200 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 546 12 1 6 5.7 c1ccc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2ccccn2)nc1 10.1021/acs.jmedchem.7b01420
CHEMBL4086739 158200 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 546 12 1 6 5.7 c1ccc(CN(CCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)Cc2ccccn2)nc1 10.1021/acs.jmedchem.7b01420
59176368 149764 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 571 9 0 6 6.8 CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3947569 149764 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 571 9 0 6 6.8 CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc21 nan
70924077 152008 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 442 8 3 4 4.4 NC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3966215 152008 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 442 8 3 4 4.4 NC(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
491773 12832 None 0 Human Functional pIC50 = 5.2 5.2 -67 2
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization
ChEMBL 455 12 1 3 4.8 CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 10.1021/jm060051s
CHEMBL1188399 12832 None 0 Human Functional pIC50 = 5.2 5.2 -67 2
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization
ChEMBL 455 12 1 3 4.8 CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 10.1021/jm060051s
CHEMBL536288 12832 None 0 Human Functional pIC50 = 5.2 5.2 -67 2
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization
ChEMBL 455 12 1 3 4.8 CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 10.1021/jm060051s
172465026 196676 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5429594 196676 None 0 Human Functional pIC50 = 5.2 5.2 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
145972313 164669 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4215380 164669 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
10308735 7729 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 335 6 2 4 3.2 NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1088912 7729 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 335 6 2 4 3.2 NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
71590395 164353 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 356 6 3 5 2.8 COc1ccc(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1OC 10.1016/j.ejmech.2018.02.043
CHEMBL4211557 164353 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 356 6 3 5 2.8 COc1ccc(NC(=O)NCCc2ccc3c(n2)NCCC3)cc1OC 10.1016/j.ejmech.2018.02.043
135314305 162711 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 352 8 2 4 3.0 Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 10.1021/acsmedchemlett.7b00381
CHEMBL4169334 162711 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 352 8 2 4 3.0 Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 10.1021/acsmedchemlett.7b00381
137657247 159840 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 392 7 2 4 3.9 CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
CHEMBL4104948 159840 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 392 7 2 4 3.9 CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
59176482 148585 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)C1CCCc2cccnc21 nan
CHEMBL3938247 148585 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)C1CCCc2cccnc21 nan
137634107 156421 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 478 10 2 5 5.0 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCSCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4065751 156421 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 478 10 2 5 5.0 c1ccc2c(c1)CN[C@@H](CN(CCCCNCC1CCSCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
4410 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm100786g
65015 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm100786g
65015.0 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm100786g
844 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm100786g
CHEMBL18442 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm100786g
DB06809 3137 None 64 Human Functional pIC50 = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm100786g
135313911 162483 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1 10.1021/acsmedchemlett.7b00381
CHEMBL4165634 162483 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1 10.1021/acsmedchemlett.7b00381
70924166 149364 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 427 9 2 4 5.4 CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3944558 149364 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 427 9 2 4 5.4 CCNCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
57345320 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.7b00381
9882 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.7b00381
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.7b00381
72546295 103884 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 406 9 2 4 4.3 CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091682 103884 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 406 9 2 4 4.3 CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
59176357 148209 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 10 2 6 4.6 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3935318 148209 None 0 Human Functional pIC50 = 8.2 8.2 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 456 10 2 6 4.6 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
11718722 16663 None 12 Rhesus macaque Functional pIC50 = 8.1 8.1 -3 4
Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Rhesus macaque Functional pIC50 = 8.1 8.1 -3 4
Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
135314215 163149 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 10.1021/acsmedchemlett.7b00381
CHEMBL4176238 163149 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 338 8 2 4 2.6 Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 10.1021/acsmedchemlett.7b00381
122192966 123971 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 507 9 2 6 3.3 NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627860 123971 None 0 Human Functional pIC50 = 7.2 7.2 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 507 9 2 6 3.3 NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
145973146 163151 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 473 6 2 5 4.5 c1cnc2c(c1)CCC[C@@H]2N(CC1CCCCC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
CHEMBL4176285 163151 None 0 Human Functional pIC50 = 6.2 6.2 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 473 6 2 5 4.5 c1cnc2c(c1)CCC[C@@H]2N(CC1CCCCC1)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
25177632 58445 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 299 8 2 5 2.4 CC(c1ccccn1)N(CCCCN)Cc1ncccc1N 10.1016/j.bmcl.2011.01.021
CHEMBL1682987 58445 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 299 8 2 5 2.4 CC(c1ccccn1)N(CCCCN)Cc1ncccc1N 10.1016/j.bmcl.2011.01.021
70924138 151493 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 453 10 2 4 5.8 c1cnc2c(c1)CCCC2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3961651 151493 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 453 10 2 4 5.8 c1cnc2c(c1)CCCC2N(CCCCNCC1CC1)Cc1nccc2c1[nH]c1ccccc12 nan
172466054 196795 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1511 49 23 22 -4.6 CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5432389 196795 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1511 49 23 22 -4.6 CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
46888654 9074 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 310 7 1 4 3.1 NCCCCN(Cc1ccccn1)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1099015 9074 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 310 7 1 4 3.1 NCCCCN(Cc1ccccn1)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
25178567 176962 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 380 8 1 5 4.8 CCCCCCN/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12 10.1021/jm801065q
CHEMBL461358 176962 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 380 8 1 5 4.8 CCCCCCN/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12 10.1021/jm801065q
46204210 7731 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 377 9 2 4 4.4 NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1088916 7731 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 377 9 2 4 4.4 NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
137662026 159230 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 446 9 2 4 5.2 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCCCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4097946 159230 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 446 9 2 4 5.2 c1ccc2c(c1)CN[C@@H](CN(CCCCNC1CCCCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
146398388 185737 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 419 5 3 5 3.8 CN(C[C@H]1Cc2c(cccc2N[C@H]2CC[C@H](N)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
CHEMBL4864332 185737 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 419 5 3 5 3.8 CN(C[C@H]1Cc2c(cccc2N[C@H]2CC[C@H](N)CC2)CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.1c00449
46204208 7866 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 347 6 2 4 3.4 NC/C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1089844 7866 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 347 6 2 4 3.4 NC/C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
137634464 155872 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 474 9 2 4 5.8 CC1(C)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4059462 155872 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 474 9 2 4 5.8 CC1(C)CCC(NCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
59176602 153575 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 542 9 1 7 4.8 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3979637 153575 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 542 9 1 7 4.8 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc21 nan
162670980 182957 None 0 Human Functional pIC50 = 4.1 4.1 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 778 21 5 11 3.3 CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 10.1039/c9md00433e
CHEMBL4791514 182957 None 0 Human Functional pIC50 = 4.1 4.1 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
ChEMBL 778 21 5 11 3.3 CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@H](/N=C(/NC2CCCCC2)SCC2=CSC3=NC(C)(C)CN23)CC1 10.1039/c9md00433e
53321041 58406 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 340 8 2 5 2.6 NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682865 58406 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 340 8 2 5 2.6 NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
59176381 147403 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 526 9 1 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3929073 147403 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 526 9 1 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
71456969 84461 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 10.1021/jm300862u
CHEMBL2170299 84461 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 10.1021/jm300862u
CHEMBL2219959 84461 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 10.1021/jm300862u
25178565 176846 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL460298 176846 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
53324136 58451 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 312 8 1 4 3.4 Cc1ccnc(C(C)N(CCCCN)Cc2ncccc2C)c1 10.1016/j.bmcl.2011.01.021
CHEMBL1682993 58451 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 312 8 1 4 3.4 Cc1ccnc(C(C)N(CCCCN)Cc2ncccc2C)c1 10.1016/j.bmcl.2011.01.021
72546294 103883 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 392 8 1 4 3.8 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091681 103883 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 392 8 1 4 3.8 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL2373002 212804 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
145958111 162109 None 0 Human Functional pIC50 = 8.1 8.1 3 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.4 C/C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CN 10.1021/acsmedchemlett.7b00406
CHEMBL4159607 162109 None 0 Human Functional pIC50 = 8.1 8.1 3 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 376 6 2 4 3.4 C/C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CN 10.1021/acsmedchemlett.7b00406
145950432 163047 None 0 Human Functional pIC50 = 7.1 7.1 120 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(\F)CN 10.1021/acsmedchemlett.7b00406
CHEMBL4174727 163047 None 0 Human Functional pIC50 = 7.1 7.1 120 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 394 6 2 4 3.7 C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(\F)CN 10.1021/acsmedchemlett.7b00406
70887092 164743 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 338 5 3 3 3.9 CC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2 10.1016/j.ejmech.2018.02.043
CHEMBL4216535 164743 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 338 5 3 3 3.9 CC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2 10.1016/j.ejmech.2018.02.043
172455253 196429 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1401 44 21 19 -3.6 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5423812 196429 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1401 44 21 19 -3.6 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C 10.1021/acs.jmedchem.3c01128
25178350 190028 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 426 4 1 5 6.4 c1ccc2c(c1)nc1scc(CS/C(=N\C3CCCCC3)NC3CCCCC3)n12 10.1021/jm801065q
CHEMBL516989 190028 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 426 4 1 5 6.4 c1ccc2c(c1)nc1scc(CS/C(=N\C3CCCCC3)NC3CCCCC3)n12 10.1021/jm801065q
135313963 158869 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 480 8 2 4 5.2 FC1(F)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
CHEMBL4094123 158869 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 480 8 2 4 5.2 FC1(F)CCC(NC/C=C/CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acs.jmedchem.7b01420
162666072 182407 None 0 Human Functional pIC50 = 5.1 5.1 -141 2
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 979 21 7 15 2.2 CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 10.1021/acsmedchemlett.0c00444
CHEMBL4784104 182407 None 0 Human Functional pIC50 = 5.1 5.1 -141 2
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assayAntagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
ChEMBL 979 21 7 15 2.2 CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 10.1021/acsmedchemlett.0c00444
137657547 159897 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 546 12 1 6 5.7 c1ccc2c(c1)CN[C@@H](CN(CCCCN(Cc1ccncc1)Cc1ccncc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4105591 159897 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 546 12 1 6 5.7 c1ccc2c(c1)CN[C@@H](CN(CCCCN(Cc1ccncc1)Cc1ccncc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
59176609 150856 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 419 5 1 5 5.2 c1ccc(Cn2c3ccccc3c3ccnc(CN[C@H]4CCCc5cccnc54)c32)nc1 nan
CHEMBL3956464 150856 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 419 5 1 5 5.2 c1ccc(Cn2c3ccccc3c3ccnc(CN[C@H]4CCCc5cccnc54)c32)nc1 nan
155537257 172370 None 0 Human Functional pIC50 = 5.1 5.1 -2 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 5.8 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(C)ccc2o1 10.1016/j.bmc.2019.115091
CHEMBL4474605 172370 None 0 Human Functional pIC50 = 5.1 5.1 -2 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 5.8 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cc(C)ccc2o1 10.1016/j.bmc.2019.115091
59176628 142920 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 457 9 2 6 4.3 NCCCCN(Cc1cc2c3ccccc3n(CC(=O)O)c2cn1)[C@H]1CCCc2cccnc21 nan
CHEMBL3893088 142920 None 0 Human Functional pIC50 = 6.1 6.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 457 9 2 6 4.3 NCCCCN(Cc1cc2c3ccccc3n(CC(=O)O)c2cn1)[C@H]1CCCc2cccnc21 nan
59176528 145977 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 617 12 1 8 5.3 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
CHEMBL3917679 145977 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 617 12 1 8 5.3 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1 nan
10237323 8240 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 377 8 1 4 4.2 CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1092301 8240 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 377 8 1 4 4.2 CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
70924205 151169 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 7 2 5 4.3 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 nan
CHEMBL3959017 151169 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 454 7 2 5 4.3 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12 nan
155531953 171849 None 0 Human Functional pIC50 = 5.1 5.1 -57 3
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 6.0 CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
CHEMBL4467290 171849 None 0 Human Functional pIC50 = 5.1 5.1 -57 3
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 6.0 CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
59176445 150819 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 595 9 1 8 3.1 O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CCN1 nan
CHEMBL3956267 150819 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 595 9 1 8 3.1 O=C1CN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc32)CCN1 nan
135313829 162867 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 374 8 2 4 3.5 NCCCCN(Cc1nccc2ccccc12)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4171868 162867 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 374 8 2 4 3.5 NCCCCN(Cc1nccc2ccccc12)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
155530073 171595 None 0 Human Functional pIC50 = 5.1 5.1 -10 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 6.0 CCCCN(c1nc2ccccc2o1)C(C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
CHEMBL4463797 171595 None 0 Human Functional pIC50 = 5.1 5.1 -10 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 6.0 CCCCN(c1nc2ccccc2o1)C(C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
155535518 172171 None 0 Human Functional pIC50 = 5.1 5.1 -4 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 452 9 1 6 6.4 CCCCN(c1nc2ccccc2o1)C(CC)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
CHEMBL4472121 172171 None 0 Human Functional pIC50 = 5.1 5.1 -4 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 452 9 1 6 6.4 CCCCN(c1nc2ccccc2o1)C(CC)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
59176531 151053 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 385 6 2 5 4.1 NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3958178 151053 None 0 Human Functional pIC50 = 5.1 5.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 385 6 2 5 4.1 NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 nan
76324529 103885 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/acs.jmedchem.7b01420
CHEMBL3091683 103885 None 0 Human Functional pIC50 = 7.1 7.1 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/acs.jmedchem.7b01420
59176472 142521 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 9 2 7 3.2 NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3890039 142521 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 511 9 2 7 3.2 NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
59176556 148059 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 437 8 1 5 4.8 C#CCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3934072 148059 None 0 Human Functional pIC50 = 8.1 8.1 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 437 8 1 5 4.8 C#CCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
137655938 159076 None 0 Human Functional pIC50 = 8.0 8.0 64 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 362 6 2 4 3.0 NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
CHEMBL4096305 159076 None 0 Human Functional pIC50 = 8.0 8.0 64 2
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 362 6 2 4 3.0 NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acs.jmedchem.7b01420
146398485 185613 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 431 4 1 5 3.1 CN1C[C@H]2CN(c3cccc4c3C[C@H](CN(C)[C@H]3CCCc5cccnc53)NC4)C[C@H]2C1 10.1021/acsmedchemlett.1c00449
CHEMBL4862509 185613 None 0 Human Functional pIC50 = 8.0 8.0 - 1
Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 secAntagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
ChEMBL 431 4 1 5 3.1 CN1C[C@H]2CN(c3cccc4c3C[C@H](CN(C)[C@H]3CCCc5cccnc53)NC4)C[C@H]2C1 10.1021/acsmedchemlett.1c00449
135314337 158440 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 496 8 2 5 4.9 c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
CHEMBL4089531 158440 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 496 8 2 5 4.9 c1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2 10.1021/acs.jmedchem.7b01420
53319745 58396 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1 10.1016/j.bmcl.2011.01.021
CHEMBL1682855 58396 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 324 7 1 4 3.4 Cc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1 10.1016/j.bmcl.2011.01.021
135314107 162726 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 365 5 2 5 1.9 Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
CHEMBL4169504 162726 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
ChEMBL 365 5 2 5 1.9 Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCNCC2)CN1 10.1021/acs.jmedchem.8b00450
25178764 176872 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 380 4 1 5 4.5 C/N=c1/scc(CS/C(=N\C2CCCCC2)NC2CCCCC2)n1C 10.1021/jm801065q
CHEMBL460484 176872 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 380 4 1 5 4.5 C/N=c1/scc(CS/C(=N\C2CCCCC2)NC2CCCCC2)n1C 10.1021/jm801065q
45182189 138919 None 1 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysisAntagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysis
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1021/acs.jmedchem.5b00497
CHEMBL3781301 138919 None 1 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysisAntagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysis
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1021/acs.jmedchem.5b00497
172465026 196676 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5429594 196676 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assayAntagonist activity at CXCR4 (unknown origin) expressed in human HEK293T cells co-expressing SmBiT-beta-arrestin2 preincubated with compound for 10 mins followed by CXCL12 stimulation and measured for 120 mins by beta-arrestin2 recruitment based NanoBiT assay
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
45182189 138919 None 1 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysisAntagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysis
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1016/j.ejmech.2017.08.027
CHEMBL3781301 138919 None 1 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysisAntagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysis
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1016/j.ejmech.2017.08.027
135314252 156485 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 453 9 2 5 4.2 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1cccnc1 10.1021/acs.jmedchem.7b01420
CHEMBL4066459 156485 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 453 9 2 5 4.2 C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1cccnc1 10.1021/acs.jmedchem.7b01420
172470447 197116 None 0 Human Functional pIC50 = 4.0 4.0 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1511 49 23 22 -4.6 CSCC[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5439158 197116 None 0 Human Functional pIC50 = 4.0 4.0 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1511 49 23 22 -4.6 CSCC[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
172439799 194955 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1493 48 23 21 -4.3 CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5393986 194955 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Antagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysisAntagonist activity at CXCR4 in human SUP-T1 cells assessed as inhibition of CXCL12-induced ERK phosphorylation preincubated with 15 mins followed by CXCL12 stimulation and measured after 12 mins by flow cytometry analysis
ChEMBL 1493 48 23 21 -4.3 CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
25181075 173529 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 392 4 0 5 4.9 CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 10.1021/jm801065q
CHEMBL452868 173529 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 392 4 0 5 4.9 CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 10.1021/jm801065q
70924239 144869 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 397 6 2 4 4.5 NC/C=C\CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3909203 144869 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 397 6 2 4 4.5 NC/C=C\CN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
59176632 152991 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 513 9 1 7 5.5 CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 nan
CHEMBL3974711 152991 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 513 9 1 7 5.5 CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 nan
70924094 146950 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 499 8 2 6 5.4 CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3925239 146950 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 499 8 2 6 5.4 CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
145961863 162158 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 462 7 2 5 2.6 NC(=O)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
CHEMBL4160551 162158 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 462 7 2 5 2.6 NC(=O)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.8b00030
155554813 174508 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 458 7 1 6 5.9 c1ccc(CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2nc3ccccc3o2)cc1 10.1016/j.bmc.2019.115091
CHEMBL4552485 174508 None 0 Human Functional pIC50 = 5.0 5.0 - 1
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 458 7 1 6 5.9 c1ccc(CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2nc3ccccc3o2)cc1 10.1016/j.bmc.2019.115091
CHEMBL1956254 211562 None 0 Human Functional pIC50 = 7.0 7.0 - 1
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmcl.2012.01.134
155518713 170383 None 0 Human Functional pIC50 = 5.0 5.0 -2 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 424 8 1 6 5.5 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 10.1016/j.bmc.2019.115091
CHEMBL4446260 170383 None 0 Human Functional pIC50 = 5.0 5.0 -2 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 424 8 1 6 5.5 CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2ccccc2o1 10.1016/j.bmc.2019.115091
10215423 7868 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 345 4 2 4 2.8 NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1089846 7868 None 0 Human Functional pIC50 = 6.0 6.0 - 1
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 345 4 2 4 2.8 NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
142416754 162436 None 0 Human Functional pIC50 = 7.0 7.0 112 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 480 8 2 4 5.2 FC1(F)CCC(NC/C=C\CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
CHEMBL4164874 162436 None 0 Human Functional pIC50 = 7.0 7.0 112 2
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 480 8 2 4 5.2 FC1(F)CCC(NC/C=C\CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 10.1021/acsmedchemlett.7b00406
155525712 171178 None 0 Human Functional pIC50 = 5 5.0 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 6.0 CCCCN(c1nc2ccccc2o1)[C@@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
CHEMBL4457246 171178 None 0 Human Functional pIC50 = 5 5.0 -1 2
Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha additionInhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
ChEMBL 438 8 1 6 6.0 CCCCN(c1nc2ccccc2o1)[C@@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 10.1016/j.bmc.2019.115091
59176463 145788 None 0 Human Functional pIC50 = 6 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.8 CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3916239 145788 None 0 Human Functional pIC50 = 6 6.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.8 CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
70924194 145023 None 0 Human Functional pIC50 = 5 5.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 518 7 1 6 3.6 CS(=O)(=O)N1CCN(CCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 nan
CHEMBL3910316 145023 None 0 Human Functional pIC50 = 5 5.0 - 1
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 518 7 1 6 3.6 CS(=O)(=O)N1CCN(CCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1 nan
483559 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 8 8.0 - 1
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.0 5.0 - 0
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.0 5.0 - 0
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 5.9 5.9 -338 6
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 5.9 5.9 -338 6
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 5.9 5.9 -338 6
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 5.9 5.9 -338 6
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 5.9 5.9 -338 6
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 5.9 5.9 -338 6
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 4.9 4.9 - 0
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 4.9 4.9 - 0
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 6.9 6.9 - 1
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 6.9 6.9 - 1
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 5.9 5.9 - 1
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 5.9 5.9 - 1
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.9 5.9 - 0
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.9 5.9 - 0
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.9 4.9 - 0
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.9 4.9 - 0
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.9 6.9 -338 6
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.9 6.9 -338 6
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.9 6.9 -338 6
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.9 6.9 -338 6
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.9 6.9 -338 6
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.9 6.9 -338 6
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 4.9 4.9 - 0
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 4.9 4.9 - 0
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 6.8 6.8 - 1
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 6.8 6.8 - 1
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.8 4.8 - 0
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.8 4.8 - 0
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 5.8 5.8 - 1
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 5.8 5.8 - 1
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.8 6.8 -338 6
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.8 6.8 -338 6
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.8 6.8 -338 6
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.8 6.8 -338 6
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.8 6.8 -338 6
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.8 6.8 -338 6
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 6.8 6.8 - 0
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 6.8 6.8 - 0
Antagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 F172A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.8 5.8 - 0
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.8 5.8 - 0
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 6.8 6.8 - 1
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 6.8 6.8 - 1
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 5.8 5.8 -338 6
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 5.8 5.8 -338 6
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 5.8 5.8 -338 6
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 5.8 5.8 -338 6
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 5.8 5.8 -338 6
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 5.8 5.8 -338 6
Antagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D171N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.8 5.8 - 0
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.8 5.8 - 0
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 4.8 4.8 - 0
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 4.8 4.8 - 0
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 5.7 5.7 - 1
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 5.7 5.7 - 1
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 7.7 7.7 - 1
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 7.7 7.7 - 1
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 6.7 6.7 - 1
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 6.7 6.7 - 1
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.7 4.7 - 0
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.7 4.7 - 0
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 6.7 6.7 - 1
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 6.7 6.7 - 1
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.7 6.7 -338 6
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.7 4.7 - 0
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.7 4.7 - 0
Antagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H281A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.6 5.6 - 0
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.6 5.6 - 0
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 5.6 5.6 - 0
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 5.6 5.6 - 0
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.6 4.6 - 0
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.6 4.6 - 0
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 5.6 5.6 - 0
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 5.6 5.6 - 0
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.6 4.6 - 0
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.6 4.6 - 0
Antagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 V196A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 5.5 5.5 - 0
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 5.5 5.5 - 0
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 7.5 7.5 - 1
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 7.5 7.5 - 1
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 7.5 7.5 - 1
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 7.5 7.5 - 1
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.5 5.5 - 0
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.5 5.5 - 0
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.5 4.5 - 0
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.5 4.5 - 0
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.5 6.5 -338 6
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 5.5 5.5 - 0
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 5.5 5.5 - 0
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 6.5 6.5 - 0
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 6.5 6.5 - 0
Antagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 T287A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.4 4.4 - 0
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.4 4.4 - 0
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 7.4 7.4 - 1
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 7.4 7.4 - 1
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.4 6.4 -338 6
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.4 6.4 -338 6
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.4 6.4 -338 6
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.4 6.4 -338 6
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.4 6.4 -338 6
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.4 6.4 -338 6
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 6.4 6.4 - 0
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 6.4 6.4 - 0
Antagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I284A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 6.4 6.4 - 0
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 6.4 6.4 - 0
Antagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 L120F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 5.3 5.3 -338 6
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 5.3 5.3 -338 6
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 5.3 5.3 -338 6
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 5.3 5.3 -338 6
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 5.3 5.3 -338 6
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 5.3 5.3 -338 6
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.2 4.2 - 0
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.2 4.2 - 0
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 5.2 5.2 -338 6
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 5.2 5.2 -338 6
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 5.2 5.2 -338 6
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 5.2 5.2 -338 6
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 5.2 5.2 -338 6
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 5.2 5.2 -338 6
Antagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 E288A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.2 6.2 -338 6
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.1 5.1 - 0
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.1 5.1 - 0
Antagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H203A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.1 5.1 - 0
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.1 5.1 - 0
Antagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.1 6.1 -338 6
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.1 6.1 -338 6
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.1 6.1 -338 6
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.1 6.1 -338 6
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.1 6.1 -338 6
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.1 6.1 -338 6
Antagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 H113A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 5.1 5.1 - 1
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 5.1 5.1 - 1
Antagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 D262N mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
483559 181703 None 34 Human Functional pKi = 7.1 7.1 - 1
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
CHEMBL477121 181703 None 34 Human Functional pKi = 7.1 7.1 - 1
Antagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 I259W mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1074/jbc.m704739200
460344 15683 None 10 Human Functional pKi = 4.1 4.1 - 0
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
CHEMBL122226 15683 None 10 Human Functional pKi = 4.1 4.1 - 0
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 304 2 3 4 1.4 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 5.1 5.1 -338 6
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 5.1 5.1 -338 6
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 5.1 5.1 -338 6
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 5.1 5.1 -338 6
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 5.1 5.1 -338 6
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 5.1 5.1 -338 6
Antagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 A175F mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 5.1 5.1 - 0
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 5.1 5.1 - 0
Antagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Y255A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
483570 182198 None 0 Human Functional pKi = 6.0 6.0 - 0
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
CHEMBL478168 182198 None 0 Human Functional pKi = 6.0 6.0 - 0
Antagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at transmembrane domain 6 of human CXCR4 I259A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 409 6 4 5 2.3 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1 10.1074/jbc.m704739200
4410 3137 None 64 Human Functional pKi = 6.0 6.0 -338 6
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015 3137 None 64 Human Functional pKi = 6.0 6.0 -338 6
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
65015.0 3137 None 64 Human Functional pKi = 6.0 6.0 -338 6
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
844 3137 None 64 Human Functional pKi = 6.0 6.0 -338 6
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
CHEMBL18442 3137 None 64 Human Functional pKi = 6.0 6.0 -338 6
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
DB06809 3137 None 64 Human Functional pKi = 6.0 6.0 -338 6
Antagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnoverAntagonist activity at human CXCR4 Q200A mutant expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m704739200
9161 3937 None 0 Human Functional pEC50 = 8.7 8.7 - 1
Measuring displacement of iodinated SDF-1 from exogenously expressed CXCR4 <i>in vitro</i>.Measuring displacement of iodinated SDF-1 from exogenously expressed CXCR4 <i>in vitro</i>.
Guide to Pharmacology None None None None None
11176403 2093 None 1 Human Functional pEC50 = 8.0 8.0 1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
2900 2093 None 1 Human Functional pEC50 = 8.0 8.0 1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
CHEMBL452864 2093 None 1 Human Functional pEC50 = 8.0 8.0 1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
25147749 2094 None 18 Human Functional pEC50 = 9 9.0 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
2899 2094 None 18 Human Functional pEC50 = 9 9.0 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
CHEMBL460491 2094 None 18 Human Functional pEC50 = 9 9.0 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
133081963 1100 None 0 Human Functional pIC50 = 7.8 7.8 -1 2
Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.
Guide to Pharmacology 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
9883 1100 None 0 Human Functional pIC50 = 7.8 7.8 -1 2
Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.
Guide to Pharmacology 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
CHEMBL4075205 1100 None 0 Human Functional pIC50 = 7.8 7.8 -1 2
Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.
Guide to Pharmacology 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
57345320 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.
Guide to Pharmacology 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
9882 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.
Guide to Pharmacology 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
CHEMBL3091687 3832 None 11 Human Functional pIC50 = 8.2 8.2 34 7
Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.
Guide to Pharmacology 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
25077385 372 None 0 Human Functional pIC50 = 6.1 6.1 3 2
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
607 372 None 0 Human Functional pIC50 = 6.1 6.1 3 2
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
11176403 2093 None 1 Rat Functional pIC50 = 7.3 7.3 -1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
2900 2093 None 1 Rat Functional pIC50 = 7.3 7.3 -1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
CHEMBL452864 2093 None 1 Rat Functional pIC50 = 7.3 7.3 -1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
11176403 2093 None 1 Human Functional pIC50 = 7.3 7.3 1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
2900 2093 None 1 Human Functional pIC50 = 7.3 7.3 1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
CHEMBL452864 2093 None 1 Human Functional pIC50 = 7.3 7.3 1 2
UnclassifiedUnclassified
Guide to Pharmacology 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 19053768
25147749 2094 None 18 Rat Functional pIC50 = 8.0 8.0 18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
2899 2094 None 18 Rat Functional pIC50 = 8.0 8.0 18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
CHEMBL460491 2094 None 18 Rat Functional pIC50 = 8.0 8.0 18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
133081963 1100 None 0 Mouse Functional pIC50 = 8.0 8.0 1 2
UnclassifiedUnclassified
Guide to Pharmacology 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
9883 1100 None 0 Mouse Functional pIC50 = 8.0 8.0 1 2
UnclassifiedUnclassified
Guide to Pharmacology 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
CHEMBL4075205 1100 None 0 Mouse Functional pIC50 = 8.0 8.0 1 2
UnclassifiedUnclassified
Guide to Pharmacology 446 8 2 5 3.8 O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 29350534
25147749 2094 None 18 Human Functional pIC50 = 8.1 8.1 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
25147749 2094 None 18 Human Functional pIC50 = 8.1 8.1 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 30476826
2899 2094 None 18 Human Functional pIC50 = 8.1 8.1 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
2899 2094 None 18 Human Functional pIC50 = 8.1 8.1 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 30476826
CHEMBL460491 2094 None 18 Human Functional pIC50 = 8.1 8.1 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 19053768
CHEMBL460491 2094 None 18 Human Functional pIC50 = 8.1 8.1 -18 2
UnclassifiedUnclassified
Guide to Pharmacology 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 30476826
16197445 3722 None 0 Human Functional pIC50 = 8.4 8.4 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
852 3722 None 0 Human Functional pIC50 = 8.4 8.4 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
16197316 3726 None 0 Human Functional pIC50 None 7.3 7.3 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
56947145 3726 None 0 Human Functional pIC50 None 7.3 7.3 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
854 3726 None 0 Human Functional pIC50 None 7.3 7.3 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
16130395 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
16130395 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
56947144 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
56947144 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
73345443 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
73345443 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
853 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
853 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
CHEMBL2370138 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11923301
CHEMBL2370138 3723 None 15 Human Functional pIC50 None 8.2 8.2 - 1
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9918823
486830 4002 None 0 Human Functional pIC50 None 8.2 8.2 -7 5
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9287217
768 4002 None 0 Human Functional pIC50 None 8.2 8.2 -7 5
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9287217
118965258 1227 None 0 Human Functional pIC50 ~ 7.3 7.3 - 1
UnclassifiedUnclassified
Guide to Pharmacology 649 18 6 12 2.7 OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N 27938478
9701 1227 None 0 Human Functional pIC50 ~ 7.3 7.3 - 1
UnclassifiedUnclassified
Guide to Pharmacology 649 18 6 12 2.7 OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N 27938478


Get vendors


Ligands (move mouse cursor over ligand name to see structure) Receptor Activity Chemical information
Sel. page Common
name		 GPCRdb
ID		 Reference
ligand		 Vendors

 Species

 Assay
Type		 Activity
Type		 Activity
Relation		 Activity
Value		 p-value
(-log)		 Fold
selectivity		 Tested
GPCRs		 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
11565518 89918 None 59 Human Binding pEC50 = 9.5 9.5 - 0
Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsDisplacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm070679i
CHEMBL237830 89918 None 59 Human Binding pEC50 = 9.5 9.5 - 0
Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsDisplacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm070679i
134143183 145315 None 0 Human Binding pEC50 = 7.0 7.0 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3080 81 50 42 -10.0 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3912645 145315 None 0 Human Binding pEC50 = 7.0 7.0 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3080 81 50 42 -10.0 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
118965395 156304 None 0 Human Binding pEC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysis
ChEMBL 613 19 6 12 1.7 Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4064397 156304 None 0 Human Binding pEC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysis
ChEMBL 613 19 6 12 1.7 Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL3924080 214916 None 0 Human Binding pEC50 = 6.9 6.9 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3905094 214902 None 0 Human Binding pEC50 = 6.8 6.8 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3982241 214980 None 0 Human Binding pEC50 = 7.8 7.8 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3974242 214965 None 0 Human Binding pEC50 = 6.8 6.8 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
52945183 17224 None 0 Human Binding pEC50 = 7.7 7.7 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2648 62 39 31 -3.3 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933416 17224 None 0 Human Binding pEC50 = 7.7 7.7 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2648 62 39 31 -3.3 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256529 17224 None 0 Human Binding pEC50 = 7.7 7.7 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2648 62 39 31 -3.3 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
45182189 138919 None 1 Human Binding pEC50 = 5.7 5.7 - 0
Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assayAntagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1016/j.ejmech.2016.02.051
CHEMBL3781301 138919 None 1 Human Binding pEC50 = 5.7 5.7 - 0
Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assayAntagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1016/j.ejmech.2016.02.051
134139386 146667 None 0 Human Binding pEC50 = 6.7 6.7 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3923006 146667 None 0 Human Binding pEC50 = 6.7 6.7 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
52948854 17223 None 0 Human Binding pEC50 = 8.4 8.4 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2620 60 39 31 -4.0 N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933415 17223 None 0 Human Binding pEC50 = 8.4 8.4 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2620 60 39 31 -4.0 N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256528 17223 None 0 Human Binding pEC50 = 8.4 8.4 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2620 60 39 31 -4.0 N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL3914095 214909 None 0 Human Binding pEC50 = 7.4 7.4 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
52942784 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933417 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256530 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256583 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
134138747 147544 None 0 Human Binding pEC50 = 7.3 7.3 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3170 84 51 43 -9.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3930215 147544 None 0 Human Binding pEC50 = 7.3 7.3 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3170 84 51 43 -9.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3903301 214901 None 0 Human Binding pEC50 = 7.3 7.3 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
56750906 123063 None 4 Human Binding pEC50 = 4.3 4.3 - 0
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 123063 None 4 Human Binding pEC50 = 4.3 4.3 - 0
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3896146 214888 None 0 Human Binding pEC50 = 7.3 7.3 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3976727 214968 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
134150065 151739 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 2985 83 45 42 -8.2 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3963915 151739 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 2985 83 45 42 -8.2 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
134134119 143258 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3896065 143258 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
134132933 145264 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3169 82 52 43 -9.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3912312 145264 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3169 82 52 43 -9.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3978794 214971 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
2719 917 None 54 Human Binding pEC50 = 5.2 5.2 - 11
Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP productionAntagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production
ChEMBL 319 8 1 3 4.8 CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC 10.1016/j.ejmech.2018.08.028
5535 917 None 54 Human Binding pEC50 = 5.2 5.2 - 11
Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP productionAntagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production
ChEMBL 319 8 1 3 4.8 CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC 10.1016/j.ejmech.2018.08.028
607 917 None 54 Human Binding pEC50 = 5.2 5.2 - 11
Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP productionAntagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production
ChEMBL 319 8 1 3 4.8 CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC 10.1016/j.ejmech.2018.08.028
CHEMBL76 917 None 54 Human Binding pEC50 = 5.2 5.2 - 11
Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP productionAntagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production
ChEMBL 319 8 1 3 4.8 CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC 10.1016/j.ejmech.2018.08.028
DB00608 917 None 54 Human Binding pEC50 = 5.2 5.2 - 11
Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP productionAntagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production
ChEMBL 319 8 1 3 4.8 CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC 10.1016/j.ejmech.2018.08.028
56955853 138811 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membraneDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
ChEMBL 501 12 5 7 4.8 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 10.1016/j.ejmech.2016.02.051
CHEMBL3779982 138811 None 0 Human Binding pEC50 = 7.2 7.2 - 0
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membraneDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
ChEMBL 501 12 5 7 4.8 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 10.1016/j.ejmech.2016.02.051
52942784 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933417 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256530 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256583 17225 None 0 Human Binding pEC50 = 8.2 8.2 - 0
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
56750906 123063 None 4 Human Binding pEC50 = 4.2 4.2 - 0
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 123063 None 4 Human Binding pEC50 = 4.2 4.2 - 0
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
134155140 151223 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3268 83 51 43 -7.5 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3959440 151223 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3268 83 51 43 -7.5 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3955461 214949 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
134135404 144021 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3244 83 51 43 -8.1 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3902240 144021 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3244 83 51 43 -8.1 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3940962 214930 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3949729 214941 None 0 Human Binding pEC50 = 7.1 7.1 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3924163 214917 None 0 Human Binding pEC50 = 7.0 7.0 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3970509 214962 None 0 Human Binding pEC50 = 7.0 7.0 - 0
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
11565518 89918 None 59 Human Binding pIC50 = 9.5 9.5 - 0
Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assayBinding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assay
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1016/j.ejmech.2017.08.027
CHEMBL237830 89918 None 59 Human Binding pIC50 = 9.5 9.5 - 0
Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assayBinding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assay
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1016/j.ejmech.2017.08.027
11718722 16663 None 12 Human Binding pIC50 = 9.5 9.5 - 0
Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assayInhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16663 None 12 Human Binding pIC50 = 9.5 9.5 - 0
Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assayInhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
11950261 16664 None 8 Human Binding pIC50 = 9.3 9.3 - 1
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9.3 9.3 - 1
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9.3 9.3 - 1
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16664 None 8 Human Binding pIC50 = 9.3 9.3 - 1
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9.3 9.3 - 1
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9.3 9.3 - 1
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL393882 214929 None 5 Human Binding pIC50 = 9.2 9.2 - 0
Inhibition of CXCR4 in MDA-MB-231 cellsInhibition of CXCR4 in MDA-MB-231 cells
ChEMBL None None None N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1021/jm070679i
11950261 16664 None 8 Human Binding pIC50 = 9.2 9.2 - 1
Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation countingDisplacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9.2 9.2 - 1
Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation countingDisplacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9.2 9.2 - 1
Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation countingDisplacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16664 None 8 Human Binding pIC50 = 9.2 9.2 - 1
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9.2 9.2 - 1
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9.2 9.2 - 1
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1016/j.ejmech.2018.02.043
11950261 16664 None 8 Human Binding pIC50 = 9.1 9.1 - 1
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9.1 9.1 - 1
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9.1 9.1 - 1
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
4410 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
65015 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
65015.0 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
844 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
CHEMBL18442 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
DB06809 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
4410 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.6b01309
65015 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.6b01309
65015.0 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.6b01309
844 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.6b01309
CHEMBL18442 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.6b01309
DB06809 3137 None 64 Human Binding pIC50 = 9.1 9.1 -524 5
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.6b01309
49857485 63826 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
CHEMBL1802286 63826 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
49857486 63827 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
CHEMBL1802287 63827 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
49857488 63830 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
CHEMBL1802323 63830 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
49857681 63833 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 328 6 2 6 2.8 Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 nan
CHEMBL1802330 63833 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 328 6 2 6 2.8 Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 nan
23656764 89712 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1 nan
CHEMBL237629 89712 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1 nan
58757240 143265 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 364 6 2 6 3.0 Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 nan
CHEMBL3896101 143265 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 364 6 2 6 3.0 Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 nan
58757245 145350 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 258 5 2 4 2.7 O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1 nan
CHEMBL3912875 145350 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 258 5 2 4 2.7 O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1 nan
8241714 146823 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 378 8 2 6 4.7 O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 nan
CHEMBL392423 146823 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 378 8 2 6 4.7 O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 nan
58757241 151849 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 396 6 2 6 4.1 Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl nan
CHEMBL3964805 151849 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 396 6 2 6 4.1 Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl nan
58757238 154261 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 217 4 1 3 2.6 FCc1ccc(CNc2ncccn2)cc1 nan
CHEMBL3985608 154261 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 217 4 1 3 2.6 FCc1ccc(CNc2ncccn2)cc1 nan
58757235 154322 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 388 8 2 8 2.8 COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F nan
CHEMBL3986129 154322 None 0 Rat Binding pIC50 = 9 9.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 388 8 2 8 2.8 COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F nan
11950261 16664 None 8 Human Binding pIC50 = 9 9.0 - 1
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9 9.0 - 1
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9 9.0 - 1
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16664 None 8 Human Binding pIC50 = 9 9.0 - 1
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 9 9.0 - 1
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 9 9.0 - 1
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
477104 116912 None 6 Human Binding pIC50 = 9 9.0 - 0
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cellsInhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
ChEMBL 570 4 4 8 2.0 c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 10.1021/jm990211i
CHEMBL1202231 116912 None 6 Human Binding pIC50 = 9 9.0 - 0
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cellsInhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
ChEMBL 570 4 4 8 2.0 c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 10.1021/jm990211i
CHEMBL338074 116912 None 6 Human Binding pIC50 = 9 9.0 - 0
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cellsInhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
ChEMBL 570 4 4 8 2.0 c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 10.1021/jm990211i
25147749 2094 None 18 Human Binding pIC50 = 9.0 9.0 - 0
Inhibition of wild type CXCR4 (unknown origin)Inhibition of wild type CXCR4 (unknown origin)
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acs.jmedchem.6b01309
2899 2094 None 18 Human Binding pIC50 = 9.0 9.0 - 0
Inhibition of wild type CXCR4 (unknown origin)Inhibition of wild type CXCR4 (unknown origin)
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acs.jmedchem.6b01309
CHEMBL460491 2094 None 18 Human Binding pIC50 = 9.0 9.0 - 0
Inhibition of wild type CXCR4 (unknown origin)Inhibition of wild type CXCR4 (unknown origin)
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acs.jmedchem.6b01309
11950261 16664 None 8 Human Binding pIC50 = 8.9 8.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.9 8.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.9 8.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16664 None 8 Human Binding pIC50 = 8.9 8.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.9 8.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.9 8.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2012527 211579 None 0 Human Binding pIC50 = 8.9 8.9 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O 10.1021/ml200084n
11950261 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
137648951 157516 None 0 Human Binding pIC50 = 8.8 8.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4078698 157516 None 0 Human Binding pIC50 = 8.8 8.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL2012525 211577 None 0 Human Binding pIC50 = 8.8 8.8 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1021/ml200084n
155525671 171218 None 0 Human Binding pIC50 = 8.8 8.8 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL4457992 171218 None 0 Human Binding pIC50 = 8.8 8.8 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
11950261 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.8 8.8 - 1
Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
138501629 181812 None 0 Human Binding pIC50 = 8 8.0 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.8 CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4776865 181812 None 0 Human Binding pIC50 = 8 8.0 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.8 CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 10.1016/j.ejmech.2019.111914
49857097 63823 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 430 6 2 8 3.9 Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 nan
CHEMBL1802282 63823 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 430 6 2 8 3.9 Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 nan
49857287 63824 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ncccn3)cc2)cc1 nan
CHEMBL1802283 63824 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ncccn3)cc2)cc1 nan
49857487 63829 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
CHEMBL1802322 63829 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
23656445 88583 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 6 2 2 6.1 Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 nan
CHEMBL235310 88583 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 6 2 2 6.1 Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 nan
3313778 89582 None 1 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 316 6 2 2 5.5 Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1 nan
CHEMBL237439 89582 None 1 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 316 6 2 2 5.5 Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1 nan
328731 89593 None 2 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 8 2 2 6.0 CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 nan
CHEMBL237440 89593 None 2 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 8 2 2 6.0 CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 nan
8241537 89917 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1 nan
CHEMBL237829 89917 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1 nan
58757230 144932 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 352 8 2 8 2.5 COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 nan
CHEMBL3909689 144932 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 352 8 2 8 2.5 COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 nan
58757229 147875 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1 nan
CHEMBL3932667 147875 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1 nan
24804043 151036 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 291 6 1 4 3.7 c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1 nan
CHEMBL3958019 151036 None 0 Rat Binding pIC50 = 8 8.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 291 6 1 4 3.7 c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1 nan
155546592 173641 None 0 Human Binding pIC50 = 8 8.0 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL4531581 173641 None 0 Human Binding pIC50 = 8 8.0 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
25147749 2094 None 18 Human Binding pIC50 = 8 8.0 - 0
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
2899 2094 None 18 Human Binding pIC50 = 8 8.0 - 0
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL460491 2094 None 18 Human Binding pIC50 = 8 8.0 - 0
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
25147749 2094 None 18 Human Binding pIC50 = 8 8.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
2899 2094 None 18 Human Binding pIC50 = 8 8.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL460491 2094 None 18 Human Binding pIC50 = 8 8.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL192183 211544 None 0 Human Binding pIC50 = 8 8.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H](N=C(N)N)CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
51346852 58454 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682996 58454 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
4410 3137 None 64 Rat Binding pIC50 = 7 7.0 - 5
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
65015 3137 None 64 Rat Binding pIC50 = 7 7.0 - 5
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
65015.0 3137 None 64 Rat Binding pIC50 = 7 7.0 - 5
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
844 3137 None 64 Rat Binding pIC50 = 7 7.0 - 5
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
CHEMBL18442 3137 None 64 Rat Binding pIC50 = 7 7.0 - 5
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
DB06809 3137 None 64 Rat Binding pIC50 = 7 7.0 - 5
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
49857288 63825 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 308 6 2 4 3.8 Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1 nan
CHEMBL1802284 63825 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 308 6 2 4 3.8 Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1 nan
24804044 145125 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 292 6 1 5 3.1 c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1 nan
CHEMBL3911200 145125 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 292 6 1 5 3.1 c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1 nan
89957222 147920 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 332 7 3 3 4.6 O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 nan
CHEMBL3932956 147920 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 332 7 3 3 4.6 O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 nan
58757244 153508 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 366 6 2 8 1.8 Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1 nan
CHEMBL3979002 153508 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 366 6 2 8 1.8 Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1 nan
58757234 154406 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 229 5 1 4 2.2 COCc1ccc(CNc2ncccn2)cc1 nan
CHEMBL3986703 154406 None 0 Rat Binding pIC50 = 7 7.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 229 5 1 4 2.2 COCc1ccc(CNc2ncccn2)cc1 nan
70694125 74583 None 0 Human Binding pIC50 = 7 7.0 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 740 12 11 7 1.4 C/C1=C(/C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 10.1021/jm2016914
CHEMBL2029611 74583 None 0 Human Binding pIC50 = 7 7.0 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 740 12 11 7 1.4 C/C1=C(/C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 10.1021/jm2016914
259647 143477 None 10 Rat Binding pIC50 = 6 6.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 0 2 4.8 c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1 nan
CHEMBL3897880 143477 None 10 Rat Binding pIC50 = 6 6.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 0 2 4.8 c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1 nan
611565 151977 None 0 Rat Binding pIC50 = 6 6.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 322 6 0 2 6.3 c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1 nan
CHEMBL3965823 151977 None 0 Rat Binding pIC50 = 6 6.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 322 6 0 2 6.3 c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1 nan
58757247 152955 None 0 Rat Binding pIC50 = 6 6.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 243 5 2 3 2.8 COc1cccc(NCc2ccc(CO)cc2)c1 nan
CHEMBL3974314 152955 None 0 Rat Binding pIC50 = 6 6.0 - 0
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 243 5 2 3 2.8 COc1cccc(NCc2ccc(CO)cc2)c1 nan
155523400 170853 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4452433 170853 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
56649212 70616 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 744 12 8 8 0.1 CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949675 70616 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 744 12 8 8 0.1 CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
155545540 173562 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
CHEMBL4529593 173562 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
155558835 174881 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 318 6 2 3 3.1 Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4561387 174881 None 0 Human Binding pIC50 = 6 6.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 318 6 2 3 3.1 Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 10.1016/j.ejmech.2018.10.060
5278946 168721 None 0 Human Binding pIC50 = 6 6.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL 793 15 11 10 0.2 N=C(N)NCCCN[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL436083 168721 None 0 Human Binding pIC50 = 6 6.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL 793 15 11 10 0.2 N=C(N)NCCCN[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL408062 215157 None 0 Human Binding pIC50 = 6 6.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCCN[C@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
155527692 171366 None 0 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4460308 171366 None 0 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 10.1016/j.ejmech.2018.10.060
16459886 171592 None 20 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 294 6 1 2 3.7 c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1 10.1016/j.ejmech.2018.10.060
CHEMBL4463684 171592 None 20 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 294 6 1 2 3.7 c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1 10.1016/j.ejmech.2018.10.060
2236109 171961 None 27 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 238 3 1 2 2.5 NCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4469048 171961 None 27 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 238 3 1 2 2.5 NCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
44563689 189935 None 0 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 388 5 1 5 4.0 c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 10.1021/jm801065q
CHEMBL516480 189935 None 0 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 388 5 1 5 4.0 c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 10.1021/jm801065q
137660298 159526 None 0 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 887 14 10 8 1.9 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 10.1021/acs.jmedchem.8b00336
CHEMBL4101089 159526 None 0 Human Binding pIC50 = 5 5.0 - 0
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 887 14 10 8 1.9 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 10.1021/acs.jmedchem.8b00336
44400315 68353 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 663 11 10 7 -1.5 N=C(N)NCCC(=O)N[C@H]1C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL191651 68353 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 663 11 10 7 -1.5 N=C(N)NCCC(=O)N[C@H]1C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44400178 68675 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 677 11 10 7 -1.1 N=C(N)NCCC(=O)N[C@H]1CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL191949 68675 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 677 11 10 7 -1.1 N=C(N)NCCC(=O)N[C@H]1CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44400179 68683 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 769 14 11 8 -0.3 N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL191998 68683 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 769 14 11 8 -0.3 N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44400314 124569 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 649 11 11 7 -1.7 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL364014 124569 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 649 11 11 7 -1.7 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL440638 169291 None 0 Human Binding pIC50 = 5 5.0 - 0
Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4
ChEMBL 1992 47 30 26 -6.5 C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(02)00041-0
138501641 180016 None 0 Human Binding pIC50 = 7 7.0 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 436 5 0 7 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4746043 180016 None 0 Human Binding pIC50 = 7 7.0 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 436 5 0 7 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1 10.1016/j.ejmech.2019.111914
171353824 194221 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 2845 99 46 38 -12.7 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/j.ejmech.2022.114797
CHEMBL5281510 194221 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 2845 99 46 38 -12.7 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/j.ejmech.2022.114797
172464230 196780 None 0 Human Binding pIC50 = 5.0 5.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1419 45 23 20 -5.4 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5432146 196780 None 0 Human Binding pIC50 = 5.0 5.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1419 45 23 20 -5.4 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL3924080 214916 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
145965128 164535 None 0 Human Binding pIC50 = 6.0 6.0 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 340 7 0 6 2.2 CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc21 10.1016/j.ejmech.2018.02.042
CHEMBL4213783 164535 None 0 Human Binding pIC50 = 6.0 6.0 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 340 7 0 6 2.2 CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc21 10.1016/j.ejmech.2018.02.042
172456042 196151 None 0 Human Binding pIC50 = 5.0 5.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1509 48 24 22 -6.1 CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5417685 196151 None 0 Human Binding pIC50 = 5.0 5.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1509 48 24 22 -6.1 CSCC[C@H](NC(=O)[C@@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
172444607 195407 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
CHEMBL5403146 195407 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
138501453 183334 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 395 6 1 7 2.6 CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4796167 183334 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 395 6 1 7 2.6 CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
172466054 196795 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1511 49 23 22 -4.6 CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5432389 196795 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1511 49 23 22 -4.6 CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
145974150 164657 None 0 Human Binding pIC50 = 6.0 6.0 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 378 6 0 6 2.7 c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4215245 164657 None 0 Human Binding pIC50 = 6.0 6.0 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 378 6 0 6 2.7 c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 10.1016/j.ejmech.2018.02.042
4410 3137 None 64 Rat Binding pIC50 = 7.0 7.0 - 5
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
65015 3137 None 64 Rat Binding pIC50 = 7.0 7.0 - 5
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
65015.0 3137 None 64 Rat Binding pIC50 = 7.0 7.0 - 5
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
844 3137 None 64 Rat Binding pIC50 = 7.0 7.0 - 5
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
CHEMBL18442 3137 None 64 Rat Binding pIC50 = 7.0 7.0 - 5
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
DB06809 3137 None 64 Rat Binding pIC50 = 7.0 7.0 - 5
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
134134119 143258 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3896065 143258 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL506505 216698 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](c2ccc3ccccc3c2)NC1=O 10.1021/jm801065q
145958234 162275 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysisDisplacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysis
ChEMBL 407 4 2 5 3.9 O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 10.1016/j.ejmech.2017.08.027
CHEMBL4162534 162275 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysisDisplacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysis
ChEMBL 407 4 2 5 3.9 O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 10.1016/j.ejmech.2017.08.027
66558750 75487 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=N 10.1021/ml200047e
CHEMBL2042120 75487 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=N 10.1021/ml200047e
25147749 2094 None 18 Rat Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
2899 2094 None 18 Rat Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
CHEMBL460491 2094 None 18 Rat Binding pIC50 = 8.0 8.0 - 0
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
72535488 149730 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 9 1 7 4.0 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 nan
CHEMBL3947305 149730 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 9 1 7 4.0 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 nan
11678324 164865 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 543 9 2 6 4.8 Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 10.1016/j.ejmech.2018.02.043
CHEMBL4218006 164865 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 543 9 2 6 4.8 Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 10.1016/j.ejmech.2018.02.043
CHEMBL373636 214646 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm0607350
CHEMBL375990 214697 None 0 Human Binding pIC50 = 8.0 8.0 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm0607350
155560529 175181 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2536 93 31 37 -7.8 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4568383 175181 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2536 93 31 37 -7.8 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
71716525 88242 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 649 12 8 3 8.2 N=C(NCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
CHEMBL2347628 88242 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 649 12 8 3 8.2 N=C(NCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
71718364 88245 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 538 15 8 4 5.3 N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
CHEMBL2347631 88245 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 538 15 8 4 5.3 N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
155544593 173440 None 0 Human Binding pIC50 = 6.0 6.0 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 1165 35 18 16 -5.1 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4526799 173440 None 0 Human Binding pIC50 = 6.0 6.0 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 1165 35 18 16 -5.1 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
134139386 146667 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3923006 146667 None 0 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
57345320 3832 None 11 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1016/j.bmcl.2015.04.036
9882 3832 None 11 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1016/j.bmcl.2015.04.036
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 7.0 7.0 - 0
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1016/j.bmcl.2015.04.036
162675312 183512 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 404 5 2 5 5.2 CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4798282 183512 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 404 5 2 5 5.2 CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
162642884 181825 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 390 4 3 5 4.9 CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4777007 181825 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 390 4 3 5 4.9 CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
162672731 183124 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 392 4 2 4 5.3 CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4793810 183124 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 392 4 2 4 5.3 CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
163408878 194294 None 4 Human Binding pIC50 = 6.9 6.9 - 0
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 414 14 4 4 4.5 c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
CHEMBL5283078 194294 None 4 Human Binding pIC50 = 6.9 6.9 - 0
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 414 14 4 4 4.5 c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
171354780 193989 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 457 15 4 5 4.6 CN(C)c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
CHEMBL5275975 193989 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 457 15 4 5 4.6 CN(C)c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
162667135 182603 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 402 3 2 4 6.0 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21 10.1016/j.ejmech.2020.112387
CHEMBL4786878 182603 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 402 3 2 4 6.0 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21 10.1016/j.ejmech.2020.112387
138501803 179719 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 384 4 0 6 2.6 Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4742656 179719 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 384 4 0 6 2.6 Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
138491872 181983 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4778921 181983 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
146970182 190195 None 2 Human Binding pIC50 = 7.9 7.9 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 522 17 7 6 2.5 N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2022.114150
CHEMBL5172755 190195 None 2 Human Binding pIC50 = 7.9 7.9 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 522 17 7 6 2.5 N=C(N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2022.114150
56647928 70630 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1485 27 18 16 -0.4 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930551 70630 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1485 27 18 16 -0.4 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949736 70630 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1485 27 18 16 -0.4 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
72535506 142830 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 540 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 nan
CHEMBL3892446 142830 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 540 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 nan
72535470 146328 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 nan
CHEMBL3920438 146328 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 nan
72535480 147435 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
CHEMBL3929341 147435 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
76324529 103885 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
CHEMBL3091683 103885 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
57345320 3832 None 11 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
9882 3832 None 11 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
46206137 8372 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
CHEMBL1093137 8372 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
24894090 172843 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 572 13 9 5 2.8 CC(C)C[C@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N 10.1016/j.bmcl.2008.05.092
CHEMBL450815 172843 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 572 13 9 5 2.8 CC(C)C[C@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N 10.1016/j.bmcl.2008.05.092
56750906 123063 None 4 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assayInhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 123063 None 4 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assayInhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
5275843 216139 None 27 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/acs.jmedchem.5b00216
CHEMBL2180076 216139 None 27 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/acs.jmedchem.5b00216
CHEMBL436283 216139 None 27 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/acs.jmedchem.5b00216
162664334 182222 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 392 4 2 4 5.3 CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4782034 182222 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 392 4 2 4 5.3 CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
171355204 194043 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 415 14 4 5 3.9 c1cc(CNCCCNC2CCCCC2)nc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
CHEMBL5277386 194043 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 415 14 4 5 3.9 c1cc(CNCCCNC2CCCCC2)nc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
CHEMBL3916038 214910 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysisInhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysis
ChEMBL None None None CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.6b00695
137651290 157556 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 985 18 15 13 -1.6 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4079246 157556 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 985 18 15 13 -1.6 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
155529939 171577 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 358 7 1 3 4.4 COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
CHEMBL4463569 171577 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 358 7 1 3 4.4 COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
5275843 216139 None 27 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/ml200047e
CHEMBL2180076 216139 None 27 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/ml200047e
CHEMBL436283 216139 None 27 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/ml200047e
CHEMBL3983197 214982 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
162669363 182871 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 458 5 2 5 6.1 CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4790233 182871 None 0 Human Binding pIC50 = 4.9 4.9 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 458 5 2 5 6.1 CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL219096 211865 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@H]1Cc1ccc(O)cc1 10.1021/jm0607350
138501447 181130 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 432 5 0 8 2.5 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4759222 181130 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 432 5 0 8 2.5 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1 10.1016/j.ejmech.2019.111914
11256587 2462 None 36 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/jm100073m
11256587.0 2462 None 36 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/jm100073m
8580 2462 None 36 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/jm100073m
CHEMBL518924 2462 None 36 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/jm100073m
DB05501 2462 None 36 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/jm100073m
465968 89234 None 8 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1alpha from CXCR4 in human MT4 cells after 2 hrs by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 in human MT4 cells after 2 hrs by scintillation counting analysis
ChEMBL 551 13 6 5 3.8 C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 10.1016/j.ejmech.2018.02.043
CHEMBL2367715 89234 None 8 Human Binding pIC50 = 7.9 7.9 - 1
Displacement of [125I]SDF-1alpha from CXCR4 in human MT4 cells after 2 hrs by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 in human MT4 cells after 2 hrs by scintillation counting analysis
ChEMBL 551 13 6 5 3.8 C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 10.1016/j.ejmech.2018.02.043
138501802 182323 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 408 5 0 7 2.2 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3COC3)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4783171 182323 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 408 5 0 7 2.2 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3COC3)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL373440 214636 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC1=O 10.1021/jm0607350
145972313 164669 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4215380 164669 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL3980379 214973 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Inhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysisInhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysis
ChEMBL None None None CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.6b00695
57345319 103881 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 364 7 2 4 3.2 NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091677 103881 None 0 Human Binding pIC50 = 5.9 5.9 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 364 7 2 4 3.2 NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
134143183 145315 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3080 81 50 42 -10.0 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3912645 145315 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3080 81 50 42 -10.0 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3963508 214954 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C1(NC(=O)[C@@H](N)CCCCN)Cc2ccccc2C1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
172465026 196676 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media by flow cytometry based competitive analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5429594 196676 None 0 Human Binding pIC50 = 6.9 6.9 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media by flow cytometry based competitive analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
3802539 194541 None 6 Human Binding pIC50 = 4.9 4.9 - 0
Inhibition of human recombinant CXCR4 expressed in THP-1 cellsInhibition of human recombinant CXCR4 expressed in THP-1 cells
ChEMBL 320 5 2 6 3.0 Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21 10.1021/acs.jmedchem.6b01309
CHEMBL5288598 194541 None 6 Human Binding pIC50 = 4.9 4.9 - 0
Inhibition of human recombinant CXCR4 expressed in THP-1 cellsInhibition of human recombinant CXCR4 expressed in THP-1 cells
ChEMBL 320 5 2 6 3.0 Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21 10.1021/acs.jmedchem.6b01309
138501639 180871 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 4 0 6 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@@H]2C)n1 10.1016/j.ejmech.2019.111914
CHEMBL4756203 180871 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 4 0 6 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@@H]2C)n1 10.1016/j.ejmech.2019.111914
138501640 182049 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 4 0 6 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@@H](C)C2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4779872 182049 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 4 0 6 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@@H](C)C2)n1 10.1016/j.ejmech.2019.111914
155551439 174092 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2876 99 49 42 -16.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O 10.1016/j.ejmech.2019.03.056
CHEMBL4542285 174092 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2876 99 49 42 -16.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O 10.1016/j.ejmech.2019.03.056
56648499 70640 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1613 32 20 18 -1.8 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930559 70640 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1613 32 20 18 -1.8 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949886 70640 None 0 Human Binding pIC50 = 7.9 7.9 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1613 32 20 18 -1.8 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
11950261 16664 None 8 Human Binding pIC50 = 7.9 7.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 7.9 7.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 7.9 7.9 - 1
Inhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
4410 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
172445759 195017 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1509 47 23 20 -3.8 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5395062 195017 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1509 47 23 20 -3.8 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
155566596 175904 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2360 81 31 33 -7.9 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4584349 175904 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2360 81 31 33 -7.9 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL506505 216698 None 0 Rat Binding pIC50 = 5.8 5.8 - 0
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](c2ccc3ccccc3c2)NC1=O 10.1021/jm801065q
162671201 182985 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 442 4 2 4 6.2 CCOC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4791845 182985 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 442 4 2 4 6.2 CCOC(=O)c1c(NC(=S)Nc2ccc(C(F)(F)F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
172439998 195274 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1527 48 23 21 -4.1 CSCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5399894 195274 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1527 48 23 21 -4.1 CSCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
155534395 172018 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3333 111 47 45 -10.3 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4469971 172018 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3333 111 47 45 -10.3 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
155534395 172018 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3333 111 47 45 -10.3 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4469971 172018 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3333 111 47 45 -10.3 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
137637211 155922 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 677 21 7 12 2.1 CCc1cc(NC2CCN(C(=O)CCNCCP(=O)(O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4059987 155922 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 677 21 7 12 2.1 CCc1cc(NC2CCN(C(=O)CCNCCP(=O)(O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
171357698 194023 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 459 15 4 6 4.4 O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
CHEMBL5276826 194023 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 459 15 4 6 4.4 O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
57345320 3832 None 11 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assayAntagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
9882 3832 None 11 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assayAntagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assayAntagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
68730442 143471 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 581 9 1 8 3.6 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21)N1CCOCC1 nan
CHEMBL3897853 143471 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 581 9 1 8 3.6 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21)N1CCOCC1 nan
67501386 164479 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 489 9 2 5 3.9 CC(C)CN1CCC2(CCN(Cc3ccc(C(=O)N(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)C1 10.1016/j.ejmech.2018.02.043
CHEMBL4213081 164479 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 489 9 2 5 3.9 CC(C)CN1CCC2(CCN(Cc3ccc(C(=O)N(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)C1 10.1016/j.ejmech.2018.02.043
145977928 164021 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 5 0 6 2.3 CN(C)C1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)C1 10.1016/j.ejmech.2018.02.042
CHEMBL4207399 164021 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 5 0 6 2.3 CN(C)C1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)C1 10.1016/j.ejmech.2018.02.042
66902958 164122 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 351 5 1 5 3.5 c1ccc(CN2CCC(Nc3nccc(N4CCCCCC4)n3)C2)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL4208687 164122 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 351 5 1 5 3.5 c1ccc(CN2CCC(Nc3nccc(N4CCCCCC4)n3)C2)cc1 10.1016/j.ejmech.2018.02.043
138501622 181330 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 410 6 0 7 2.9 CC(C)Oc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4761394 181330 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 410 6 0 7 2.9 CC(C)Oc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
172467966 197002 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5436512 197002 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL3932032 214924 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
172454759 196109 None 0 Human Binding pIC50 = 6.8 6.8 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assay
ChEMBL 747 16 2 6 7.4 Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F 10.1021/acs.jmedchem.3c00151
CHEMBL5417064 196109 None 0 Human Binding pIC50 = 6.8 6.8 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assay
ChEMBL 747 16 2 6 7.4 Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F 10.1021/acs.jmedchem.3c00151
118722241 116203 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 477 13 6 3 3.1 N=C(N)NCCCC[C@H]1C=C[C@H](CCc2ccc3ccccc3c2)N(CCCCNC(=N)N)C1=O 10.1016/j.bmc.2014.07.004
CHEMBL3357471 116203 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
ChEMBL 477 13 6 3 3.1 N=C(N)NCCCC[C@H]1C=C[C@H](CCc2ccc3ccccc3c2)N(CCCCNC(=N)N)C1=O 10.1016/j.bmc.2014.07.004
57345320 3832 None 11 Human Binding pIC50 = 6.8 6.8 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
9882 3832 None 11 Human Binding pIC50 = 6.8 6.8 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 6.8 6.8 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
4410 3137 None 64 Human Binding pIC50 = 4.8 4.8 -524 5
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsDisplacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
65015 3137 None 64 Human Binding pIC50 = 4.8 4.8 -524 5
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsDisplacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
65015.0 3137 None 64 Human Binding pIC50 = 4.8 4.8 -524 5
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsDisplacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
844 3137 None 64 Human Binding pIC50 = 4.8 4.8 -524 5
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsDisplacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
CHEMBL18442 3137 None 64 Human Binding pIC50 = 4.8 4.8 -524 5
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsDisplacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
DB06809 3137 None 64 Human Binding pIC50 = 4.8 4.8 -524 5
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsDisplacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.bmc.2009.01.014
137637457 155935 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 969 18 14 12 -1.3 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)O)CSSC1(C)C 10.1021/acs.jmedchem.7b01062
CHEMBL4060078 155935 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 969 18 14 12 -1.3 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)O)CSSC1(C)C 10.1021/acs.jmedchem.7b01062
25178569 177098 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 434 4 1 5 5.9 CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 10.1021/jm801065q
CHEMBL462588 177098 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 434 4 1 5 5.9 CC(C)(C)C1CCC(N/C(=N/C2CCCCC2)SCC2=CSC3=NCCN23)CC1 10.1021/jm801065q
172465026 196676 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 2 hrs by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 2 hrs by flow cytometry based competitive analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5429594 196676 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 2 hrs by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 2 hrs by flow cytometry based competitive analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
138501425 182330 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.5 Cc1nc(CN2CCC(C)C2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4783241 182330 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.5 Cc1nc(CN2CCC(C)C2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
171356140 194288 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 414 14 4 4 4.5 c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
CHEMBL5283007 194288 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 414 14 4 4 4.5 c1cc(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)c1 10.1016/j.ejmech.2020.112410
155513627 169884 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2223 82 28 33 -7.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4439040 169884 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2223 82 28 33 -7.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL375993 214698 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@H]1Cc1ccc(O)cc1 10.1021/jm0607350
118965421 156929 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 598 18 5 11 2.9 Cc1cc(NC2CCN(C(=O)CCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4071355 156929 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 598 18 5 11 2.9 Cc1cc(NC2CCN(C(=O)CCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
155523400 170853 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4452433 170853 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
172451431 195661 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5408315 195661 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
46888759 8605 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
ChEMBL 417 7 1 5 3.3 CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 10.1016/j.bmcl.2010.03.118
CHEMBL1094864 8605 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
ChEMBL 417 7 1 5 3.3 CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 10.1016/j.bmcl.2010.03.118
155551439 174092 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2876 99 49 42 -16.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O 10.1016/j.ejmech.2019.03.056
CHEMBL4542285 174092 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2876 99 49 42 -16.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O 10.1016/j.ejmech.2019.03.056
53344613 75488 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=N 10.1021/ml200047e
CHEMBL2042232 75488 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=N 10.1021/ml200047e
CHEMBL2371850 212597 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None NCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL2012652 211586 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O 10.1021/ml200084n
53322803 58455 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 323 8 2 4 3.3 C[C@@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 10.1016/j.bmcl.2011.01.021
CHEMBL1682997 58455 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 323 8 2 4 3.3 C[C@@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 10.1016/j.bmcl.2011.01.021
CHEMBL191942 211543 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
172465787 196956 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1491 47 24 21 -5.8 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5435575 196956 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1491 47 24 21 -5.8 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
172465026 196676 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5429594 196676 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysisDisplacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL219075 211864 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm0607350
171356435 194289 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 442 12 4 4 3.8 O=C(NCCCNC1CCCCC1)c1ccc(C(=O)NCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2020.112410
CHEMBL5283015 194289 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 442 12 4 4 3.8 O=C(NCCCNC1CCCCC1)c1ccc(C(=O)NCCCNC2CCCCC2)cc1 10.1016/j.ejmech.2020.112410
138501799 179653 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.8 CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)C1CCCc2cccnc21 10.1016/j.ejmech.2019.111914
CHEMBL4741628 179653 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.8 CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)C1CCCc2cccnc21 10.1016/j.ejmech.2019.111914
56648503 70644 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2127 47 25 27 -4.5 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 10.1021/jm2009716
91930563 70644 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2127 47 25 27 -4.5 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 10.1021/jm2009716
CHEMBL1949890 70644 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2127 47 25 27 -4.5 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 10.1021/jm2009716
145966697 164368 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.3 CN1CCCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4211758 164368 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.3 CN1CCCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL2012529 211581 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O 10.1021/ml200084n
CHEMBL364011 214380 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None NC(=O)CC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL387120 214866 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm0607350
44561526 189104 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 606 13 9 5 3.0 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=N)N)ccc21 10.1016/j.bmcl.2008.05.092
CHEMBL508684 189104 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 606 13 9 5 3.0 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=N)N)ccc21 10.1016/j.bmcl.2008.05.092
137655630 158805 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 898 14 9 8 2.6 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1cccc2ccccc12 10.1021/acs.jmedchem.8b00336
CHEMBL4093348 158805 None 0 Human Binding pIC50 = 4.8 4.8 - 0
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 898 14 9 8 2.6 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1cccc2ccccc12 10.1021/acs.jmedchem.8b00336
CHEMBL3933112 214927 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
162652106 180408 None 0 Human Binding pIC50 = 4.8 4.8 - 1
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assay
ChEMBL 1090 24 7 15 5.0 CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 10.1039/c9md00433e
CHEMBL4750948 180408 None 0 Human Binding pIC50 = 4.8 4.8 - 1
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assay
ChEMBL 1090 24 7 15 5.0 CC1(C)CN2C(CS/C(=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)NC3CCCCC3)=CSC2=N1 10.1039/c9md00433e
172461827 196733 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5431168 196733 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
4410 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.8 6.8 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
138501633 181410 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 392 4 0 6 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@H]3C2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4762425 181410 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 392 4 0 6 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@H]3C2)n1 10.1016/j.ejmech.2019.111914
155542701 173259 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2855 101 48 40 -13.6 CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4521504 173259 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2855 101 48 40 -13.6 CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O 10.1016/j.ejmech.2019.03.056
145975537 163675 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 509 9 1 8 3.8 CN1CCN(c2cc(CN(CCCCNC(=O)OC(C)(C)C)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4203303 163675 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 509 9 1 8 3.8 CN1CCN(c2cc(CN(CCCCNC(=O)OC(C)(C)C)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
145972040 164595 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 409 8 1 7 2.2 CN1CCN(c2cc(CN(CCCCN)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4214538 164595 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 409 8 1 7 2.2 CN1CCN(c2cc(CN(CCCCN)C3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
134132933 145264 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3169 82 52 43 -9.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3912312 145264 None 0 Human Binding pIC50 = 7.8 7.8 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3169 82 52 43 -9.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
138491830 163992 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.1 CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4207126 163992 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.1 CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1 10.1016/j.ejmech.2018.02.042
71718960 88244 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 538 15 8 4 5.3 N=C(NCCCNCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
CHEMBL2347630 88244 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 538 15 8 4 5.3 N=C(NCCCNCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
5275846 79025 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 712 12 11 7 0.8 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C/C=C/[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm049429h
CHEMBL2113070 79025 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 712 12 11 7 0.8 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C/C=C/[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm049429h
137637646 156314 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1014 19 14 14 -1.4 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4064578 156314 None 0 Human Binding pIC50 = 6.8 6.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1014 19 14 14 -1.4 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
137654103 159122 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4096721 159122 None 0 Human Binding pIC50 = 5.8 5.8 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
25178766 189953 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 10.1021/jm801065q
CHEMBL516630 189953 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCC2)N2CCCN=C2S1 10.1021/jm801065q
25178142 190694 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 430 4 1 5 5.2 C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 10.1021/jm801065q
CHEMBL518041 190694 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 430 4 1 5 5.2 C1=C(CS/C(=N\C2CCCCC2)NC23CC4CC(CC(C4)C2)C3)N2CCN=C2S1 10.1021/jm801065q
25147749 2094 None 18 Human Binding pIC50 = 4.7 4.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
2899 2094 None 18 Human Binding pIC50 = 4.7 4.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
CHEMBL460491 2094 None 18 Human Binding pIC50 = 4.7 4.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
56647927 70629 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1500 28 17 16 0.2 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930550 70629 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1500 28 17 16 0.2 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949735 70629 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1500 28 17 16 0.2 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL2180085 211894 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL2220487 211894 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
132578413 144817 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysisDisplacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysis
ChEMBL 345 8 2 3 5.4 CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 10.1016/j.bmc.2016.08.018
CHEMBL3908835 144817 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysisDisplacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysis
ChEMBL 345 8 2 3 5.4 CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 10.1016/j.bmc.2016.08.018
163408878 194294 None 4 Human Binding pIC50 = 7.7 7.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 414 14 4 4 4.5 c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
CHEMBL5283078 194294 None 4 Human Binding pIC50 = 7.7 7.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 414 14 4 4 4.5 c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
50942117 56918 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
ChEMBL 398 6 2 5 3.9 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644080 56918 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
ChEMBL 398 6 2 5 3.9 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
172458784 196188 None 0 Human Binding pIC50 = 7.7 7.7 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assay
ChEMBL 966 17 3 10 10.1 CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 10.1021/acs.jmedchem.3c00151
CHEMBL5418367 196188 None 0 Human Binding pIC50 = 7.7 7.7 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assay
ChEMBL 966 17 3 10 10.1 CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 10.1021/acs.jmedchem.3c00151
71718363 88243 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 649 12 8 3 8.2 N=C(NCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
CHEMBL2347629 88243 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 649 12 8 3 8.2 N=C(NCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
CHEMBL2112323 211697 None 2 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
155515208 170047 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3641 120 51 47 -9.3 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4441528 170047 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3641 120 51 47 -9.3 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O 10.1016/j.ejmech.2019.03.056
155515208 170047 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3641 120 51 47 -9.3 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4441528 170047 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 3641 120 51 47 -9.3 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(N)=O 10.1016/j.ejmech.2019.03.056
171351893 194639 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 415 14 4 5 3.9 c1cc(CNCCCNC2CCCCC2)ncc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
CHEMBL5291454 194639 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 415 14 4 5 3.9 c1cc(CNCCCNC2CCCCC2)ncc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
4410 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
57345320 3832 None 11 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
9882 3832 None 11 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
4410 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.10.060
65015 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.10.060
65015.0 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.10.060
844 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.10.060
DB06809 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.10.060
155547373 173712 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 362 6 1 2 5.0 Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4533528 173712 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 362 6 1 2 5.0 Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
155544179 173443 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 329 6 1 3 3.7 Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4526858 173443 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 329 6 1 3 3.7 Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1 10.1016/j.ejmech.2018.10.060
56648130 70633 None 0 Human Binding pIC50 = 8.7 8.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1569 33 18 16 1.9 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930554 70633 None 0 Human Binding pIC50 = 8.7 8.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1569 33 18 16 1.9 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949739 70633 None 0 Human Binding pIC50 = 8.7 8.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1569 33 18 16 1.9 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949730 211559 None 0 Human Binding pIC50 = 8.7 8.7 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL None None None CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N 10.1021/jm2009716
11950261 16664 None 8 Human Binding pIC50 = 8.7 8.7 - 1
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.7 8.7 - 1
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.7 8.7 - 1
Inhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V112A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2012526 211578 None 0 Human Binding pIC50 = 8.7 8.7 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O 10.1021/ml200084n
11950261 16664 None 8 Human Binding pIC50 = 8.6 8.6 - 1
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.6 8.6 - 1
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.6 8.6 - 1
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
4410 3137 None 64 Human Binding pIC50 = 8.5 8.5 -524 5
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
65015 3137 None 64 Human Binding pIC50 = 8.5 8.5 -524 5
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
65015.0 3137 None 64 Human Binding pIC50 = 8.5 8.5 -524 5
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
844 3137 None 64 Human Binding pIC50 = 8.5 8.5 -524 5
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
CHEMBL18442 3137 None 64 Human Binding pIC50 = 8.5 8.5 -524 5
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
DB06809 3137 None 64 Human Binding pIC50 = 8.5 8.5 -524 5
Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assayAntagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
72546065 103894 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 378 7 1 4 3.6 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091693 103894 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 378 7 1 4 3.6 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
72546066 103895 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 406 8 1 4 4.3 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091694 103895 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 406 8 1 4 4.3 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 10.1021/ml400183q
137633531 156371 None 0 Mouse Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at mouse CXCR4Antagonist activity at mouse CXCR4
ChEMBL 476 9 2 5 4.7 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 10.1021/acs.jmedchem.7b01420
CHEMBL4065224 156371 None 0 Mouse Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at mouse CXCR4Antagonist activity at mouse CXCR4
ChEMBL 476 9 2 5 4.7 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)CNC1CCOCC1 10.1021/acs.jmedchem.7b01420
131801411 158409 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting methodDisplacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method
ChEMBL 1009 18 15 13 -1.4 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4089168 158409 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting methodDisplacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method
ChEMBL 1009 18 15 13 -1.4 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
145976437 164039 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 351 4 0 5 2.7 CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)c2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4207646 164039 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 351 4 0 5 2.7 CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)c2)CC1 10.1016/j.ejmech.2018.02.042
10198583 164522 None 3 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 235 4 2 5 1.2 NCCNc1nccc(N2CCCCCC2)n1 10.1016/j.ejmech.2018.02.043
CHEMBL4213624 164522 None 3 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 235 4 2 5 1.2 NCCNc1nccc(N2CCCCCC2)n1 10.1016/j.ejmech.2018.02.043
155518667 170415 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 1166 35 18 16 -4.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)O 10.1016/j.bmc.2016.08.062
CHEMBL4446733 170415 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 1166 35 18 16 -4.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)O 10.1016/j.bmc.2016.08.062
172439799 194955 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1493 48 23 21 -4.3 CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5393986 194955 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1493 48 23 21 -4.3 CSCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
11233382 8374 None 5 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1093149 8374 None 5 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 10.1021/jm100073m
138501644 180330 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 4 0 6 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@H]2C)n1 10.1016/j.ejmech.2019.111914
CHEMBL4749835 180330 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 4 0 6 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@H]2C)n1 10.1016/j.ejmech.2019.111914
CHEMBL376219 214702 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCNC(=N)N 10.1021/jm0607350
CHEMBL2012531 211583 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O 10.1021/ml200084n
CHEMBL2012530 211582 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(=O)O 10.1021/ml200084n
76331766 103887 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 407 8 3 4 2.9 NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091685 103887 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 407 8 3 4 2.9 NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
145972839 164762 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 366 5 0 6 2.7 CC(C)N1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4216789 164762 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 366 5 0 6 2.7 CC(C)N1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
137632426 156451 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1003 18 14 12 -0.7 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4065967 156451 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1003 18 14 12 -0.7 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
137640842 157110 None 0 Human Binding pIC50 = 4.7 4.7 - 0
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 804 13 10 9 0.1 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CS 10.1021/acs.jmedchem.8b00336
CHEMBL4073428 157110 None 0 Human Binding pIC50 = 4.7 4.7 - 0
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 804 13 10 9 0.1 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CS 10.1021/acs.jmedchem.8b00336
71450913 79022 None 0 Human Binding pIC50 = 4.7 4.7 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 712 12 10 7 0.4 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
CHEMBL2113067 79022 None 0 Human Binding pIC50 = 4.7 4.7 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 712 12 10 7 0.4 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
4410 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.7b01322
65015 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.7b01322
65015.0 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.7b01322
844 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.7b01322
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.7b01322
DB06809 3137 None 64 Human Binding pIC50 = 6.7 6.7 -524 5
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/acs.jmedchem.7b01322
137638861 157073 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 959 18 15 13 -2.6 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4073066 157073 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 959 18 15 13 -2.6 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
138501433 183219 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.6 Cc1ccnc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)c1 10.1016/j.ejmech.2020.112537
CHEMBL4794732 183219 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.6 Cc1ccnc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)c1 10.1016/j.ejmech.2020.112537
5943987 201061 None 3 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 462 12 1 6 6.2 CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 10.1016/j.ejmech.2018.02.043
CHEMBL578702 201061 None 3 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 462 12 1 6 6.2 CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 10.1016/j.ejmech.2018.02.043
155516872 170228 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2847 101 39 41 -10.8 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4443891 170228 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2847 101 39 41 -10.8 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
10126019 7730 None 17 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1088913 7730 None 17 Human Binding pIC50 = 7.7 7.7 - 0
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
137637266 156024 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4061034 156024 None 0 Human Binding pIC50 = 7.7 7.7 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
138501462 182377 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.3 Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4783831 182377 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.3 Cc1nc(CN2CCC[C@H]2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
71716524 88240 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 481 11 7 3 5.3 N=C(NCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
CHEMBL2347626 88240 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 481 11 7 3 5.3 N=C(NCCCCNCCCNC(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
155528475 171421 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 1496 53 21 22 -5.9 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCN)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4461110 171421 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 1496 53 21 22 -5.9 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCN)C(N)=O 10.1016/j.bmc.2016.08.062
44561525 172785 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 572 13 9 5 2.8 CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N 10.1016/j.bmcl.2008.05.092
CHEMBL450041 172785 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 572 13 9 5 2.8 CC(C)C[C@@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N 10.1016/j.bmcl.2008.05.092
CHEMBL3581262 214239 None 0 Human Binding pIC50 = 5.7 5.7 - 0
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None C[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 10.1021/acs.jmedchem.5b00216
CHEMBL3894327 214884 None 0 Human Binding pIC50 = 6.7 6.7 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
25147749 2094 None 18 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
2899 2094 None 18 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
CHEMBL460491 2094 None 18 Human Binding pIC50 = 6.7 6.7 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
138501726 180987 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 392 5 0 6 3.0 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(C3CC3)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4757478 180987 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 392 5 0 6 3.0 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(C3CC3)n2)CC1 10.1016/j.ejmech.2019.111914
138501722 181408 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 367 4 1 7 1.7 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4762385 181408 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 367 4 1 7 1.7 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N)n2)CC1 10.1016/j.ejmech.2019.111914
155534587 172064 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 3023 113 39 45 -10.7 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4470663 172064 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 3023 113 39 45 -10.7 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
155542701 173259 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2855 101 48 40 -13.6 CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4521504 173259 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 2855 101 48 40 -13.6 CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL374421 214660 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1CCCNC(=N)N 10.1021/jm0607350
137632745 156661 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 484 14 5 10 2.4 Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4068500 156661 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 484 14 5 10 2.4 Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL3942093 214932 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL192685 211550 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm050009h
CHEMBL2180080 211550 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm050009h
CHEMBL384429 214786 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 10.1021/jm0607350
CHEMBL3581261 214238 None 0 Human Binding pIC50 = 4.6 4.6 - 0
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 10.1021/acs.jmedchem.5b00216
4410 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
138501435 183253 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.6 Cc1cccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4795219 183253 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.6 Cc1cccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)n1 10.1016/j.ejmech.2020.112537
CHEMBL193217 211557 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL2012653 211587 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O 10.1021/ml200084n
138501727 182681 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 437 5 0 8 2.0 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N3CCOCC3)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4787898 182681 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 437 5 0 8 2.0 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N3CCOCC3)n2)CC1 10.1016/j.ejmech.2019.111914
4410 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
65015 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
65015.0 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
844 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
DB06809 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
138501721 179654 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 382 5 0 7 2.1 COc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4741655 179654 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 382 5 0 7 2.1 COc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
138501445 180840 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.7 CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4755917 180840 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.7 CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
155537468 172395 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 3199 125 39 49 -10.6 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4474901 172395 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 3199 125 39 49 -10.6 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL3896146 214888 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
25178136 189048 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL508054 189048 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
171355291 194173 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 2876 100 48 42 -16.4 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](C)O)[C@H](C)O)C(N)=O 10.1016/j.ejmech.2022.114797
CHEMBL5280362 194173 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 2876 100 48 42 -16.4 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@@H](CCCCN[C@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](C)O)[C@H](C)O)C(N)=O 10.1016/j.ejmech.2022.114797
137637238 155967 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 555 17 5 11 2.0 Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4060426 155967 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 555 17 5 11 2.0 Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
57343965 103882 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 364 7 2 4 3.4 NCCCCN(C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091678 103882 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 364 7 2 4 3.4 NCCCCN(C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL375850 214684 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1C(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1Cc1ccc2ccccc2c1 10.1021/jm0607350
9959718 7796 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
CHEMBL1089434 7796 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
70694124 74582 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 740 12 11 7 1.4 C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N 10.1021/jm2016914
CHEMBL2029610 74582 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 740 12 11 7 1.4 C/C1=C(/C)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N 10.1021/jm2016914
155517575 170296 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4444949 170296 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
155529936 171576 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 376 6 1 2 5.3 Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4463564 171576 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 376 6 1 2 5.3 Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
155557524 174770 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 372 6 1 4 4.1 Clc1ccccc1CN1CCC(CNCc2ccc3c(c2)OCO3)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4558842 174770 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 372 6 1 4 4.1 Clc1ccccc1CN1CCC(CNCc2ccc3c(c2)OCO3)CC1 10.1016/j.ejmech.2018.10.060
45186446 194540 None 0 Human Binding pIC50 = 4.6 4.6 - 0
Inhibition of human recombinant CXCR4 expressed in THP-1 cellsInhibition of human recombinant CXCR4 expressed in THP-1 cells
ChEMBL 345 5 2 4 1.7 Cc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1 10.1021/acs.jmedchem.6b01309
CHEMBL5288597 194540 None 0 Human Binding pIC50 = 4.6 4.6 - 0
Inhibition of human recombinant CXCR4 expressed in THP-1 cellsInhibition of human recombinant CXCR4 expressed in THP-1 cells
ChEMBL 345 5 2 4 1.7 Cc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1 10.1021/acs.jmedchem.6b01309
10146 1268 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 404 7 1 2 6.0 Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 10.1016/j.ejmech.2018.10.060
137321154 1268 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 404 7 1 2 6.0 Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 10.1016/j.ejmech.2018.10.060
CHEMBL4596188 1268 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 404 7 1 2 6.0 Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1 10.1016/j.ejmech.2018.10.060
155521148 170678 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 396 6 1 2 5.6 Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4450496 170678 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 396 6 1 2 5.6 Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1 10.1016/j.ejmech.2018.10.060
155530935 171693 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 324 7 1 3 3.7 COc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4465129 171693 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 324 7 1 3 3.7 COc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
155562280 175941 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4585203 175941 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1 10.1016/j.ejmech.2018.10.060
138501441 182755 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 394 5 0 6 3.3 CC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4788777 182755 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 394 5 0 6 3.3 CC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL374862 214668 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C1=O 10.1021/jm0607350
4410 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
4410 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
72535446 143902 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
CHEMBL3901316 143902 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
171356021 194164 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 2876 100 48 42 -16.4 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O 10.1016/j.ejmech.2022.114797
CHEMBL5280204 194164 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 2876 100 48 42 -16.4 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N(CCCCCC(=O)O)[C@H](CCCCN[C@@H](CS)C(=O)N[C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O 10.1016/j.ejmech.2022.114797
172454759 196109 None 0 Human Binding pIC50 = 7.6 7.6 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assay
ChEMBL 747 16 2 6 7.4 Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F 10.1021/acs.jmedchem.3c00151
CHEMBL5417064 196109 None 0 Human Binding pIC50 = 7.6 7.6 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of (6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl (Z)-N,N'-dicyclohexylcarbamimidothioate by NanoBRET assay
ChEMBL 747 16 2 6 7.4 Cc1cc(C)n2c1C=C1C=C(CCC(=O)NCCCCCC(=O)NCCCc3c(CN(C)[C@H]4CCCc5cccnc54)ncc4ccccc34)C=[N+]1[B-]2(F)F 10.1021/acs.jmedchem.3c00151
71589166 88237 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 381 11 7 3 3.0 N=C(NCCCCNCCCNC(=N)Nc1ccccc1)Nc1ccccc1 10.1016/j.bmcl.2013.01.107
CHEMBL2347623 88237 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 381 11 7 3 3.0 N=C(NCCCCNCCCNC(=N)Nc1ccccc1)Nc1ccccc1 10.1016/j.bmcl.2013.01.107
145964516 164214 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 324 4 1 6 1.6 c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCNCC1 10.1016/j.ejmech.2018.02.042
CHEMBL4209872 164214 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 324 4 1 6 1.6 c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCNCC1 10.1016/j.ejmech.2018.02.042
49771586 196379 None 3 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1829 57 26 26 -6.4 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O 10.1021/acs.jmedchem.3c01128
CHEMBL5422551 196379 None 3 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1829 57 26 26 -6.4 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O 10.1021/acs.jmedchem.3c01128
172465026 196676 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
CHEMBL5429594 196676 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 957 32 17 12 -2.8 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O 10.1021/acs.jmedchem.3c01128
4410 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.6 6.6 -524 5
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
172441806 195484 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1499 47 23 19 -3.5 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5404609 195484 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1499 47 23 19 -3.5 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
134139204 146678 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3081 81 50 42 -9.9 CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O)C(C)C 10.1021/acs.jmedchem.6b00566
CHEMBL3923084 146678 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3081 81 50 42 -9.9 CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O)C(C)C 10.1021/acs.jmedchem.6b00566
162669638 182684 None 0 Human Binding pIC50 = 4.6 4.6 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 454 4 2 6 5.5 CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4787966 182684 None 0 Human Binding pIC50 = 4.6 4.6 - 0
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 454 4 2 6 5.5 CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
25178563 174349 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 434 4 1 5 6.2 C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL454896 174349 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 434 4 1 5 6.2 C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
11648393 163958 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 465 16 3 5 4.0 CCCN(CCC)CCCCNCc1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL4206706 163958 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 465 16 3 5 4.0 CCCN(CCC)CCCCNCc1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL426635 215808 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None NC(=O)C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44561524 183908 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 519 10 5 4 5.3 N=C(N)NCCc1cc2cc(NC(=O)CCc3ccc(O)cc3)ccc2n1CCc1ccc2ccccc2c1 10.1016/j.bmcl.2008.05.092
CHEMBL480502 183908 None 0 Human Binding pIC50 = 5.6 5.6 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 519 10 5 4 5.3 N=C(N)NCCc1cc2cc(NC(=O)CCc3ccc(O)cc3)ccc2n1CCc1ccc2ccccc2c1 10.1016/j.bmcl.2008.05.092
CHEMBL414085 161878 None 0 Human Binding pIC50 = 4.6 4.6 - 0
Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through C-X-C chemokine receptor type 4Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through C-X-C chemokine receptor type 4
ChEMBL 1982 47 31 26 -6.6 C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(02)00041-0
138501437 183273 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.6 Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 10.1016/j.ejmech.2020.112537
CHEMBL4795444 183273 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 366 4 0 6 2.6 Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1 10.1016/j.ejmech.2020.112537
25178565 176846 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL460298 176846 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 406 4 1 5 5.4 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 10.1021/jm801065q
25178138 196120 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL541728 196120 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 392 4 1 5 5.0 C1=C(CS/C(=N\C2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL2012532 211584 None 0 Human Binding pIC50 = 7.6 7.6 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O 10.1021/ml200084n
71589167 88238 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 499 12 8 3 4.8 N=C(NCCCCN(CCCNC(=N)Nc1ccccc1)C(=N)Nc1ccccc1)Nc1ccccc1 10.1016/j.bmcl.2013.01.107
CHEMBL2347624 88238 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 499 12 8 3 4.8 N=C(NCCCCN(CCCNC(=N)Nc1ccccc1)C(=N)Nc1ccccc1)Nc1ccccc1 10.1016/j.bmcl.2013.01.107
CHEMBL3894964 214886 None 0 Human Binding pIC50 = 6.6 6.6 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
155551439 174092 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at CXCR4 receptor in human SupT1 cells assessed as inhibition of SDF-1alpha-induced chemotaxis at preincubated for 2 hrs followed by SDF-1alpha-induction and measured after 3 hrs by CellTiter-Blue assayAntagonist activity at CXCR4 receptor in human SupT1 cells assessed as inhibition of SDF-1alpha-induced chemotaxis at preincubated for 2 hrs followed by SDF-1alpha-induction and measured after 3 hrs by CellTiter-Blue assay
ChEMBL 2876 99 49 42 -16.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O 10.1016/j.ejmech.2019.03.056
CHEMBL4542285 174092 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at CXCR4 receptor in human SupT1 cells assessed as inhibition of SDF-1alpha-induced chemotaxis at preincubated for 2 hrs followed by SDF-1alpha-induction and measured after 3 hrs by CellTiter-Blue assayAntagonist activity at CXCR4 receptor in human SupT1 cells assessed as inhibition of SDF-1alpha-induced chemotaxis at preincubated for 2 hrs followed by SDF-1alpha-induction and measured after 3 hrs by CellTiter-Blue assay
ChEMBL 2876 99 49 42 -16.5 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O 10.1016/j.ejmech.2019.03.056
57345320 3832 None 11 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
9882 3832 None 11 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/acsmedchemlett.8b00441
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsInhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
138501452 180188 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 428 5 0 6 3.8 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3ccccc3)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4748070 180188 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 428 5 0 6 3.8 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3ccccc3)n2)CC1 10.1016/j.ejmech.2019.111914
11176403 2093 None 1 Rat Binding pIC50 = 7.5 7.5 - 0
Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
2900 2093 None 1 Rat Binding pIC50 = 7.5 7.5 - 0
Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
CHEMBL452864 2093 None 1 Rat Binding pIC50 = 7.5 7.5 - 0
Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
76335355 103886 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 406 8 2 4 3.4 CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091684 103886 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 406 8 2 4 3.4 CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2018.02.042
145975925 163970 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 368 6 1 7 1.3 OCCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4206872 163970 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 368 6 1 7 1.3 OCCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL2029613 211608 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL None None None CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCNC(=N)N 10.1021/jm2016914
57345321 123963 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 407 9 2 5 3.0 NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627792 123963 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 407 9 2 5 3.0 NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
46206136 7969 None 0 Human Binding pIC50 = 4.5 4.5 - 0
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
CHEMBL1090509 7969 None 0 Human Binding pIC50 = 4.5 4.5 - 0
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
138501796 183583 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 420 4 0 6 3.2 CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C(F)(F)F)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4799317 183583 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 420 4 0 6 3.2 CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C(F)(F)F)n2)CC1 10.1016/j.ejmech.2019.111914
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
172451431 195661 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5408315 195661 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1457 46 23 19 -3.7 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
172452641 195843 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1443 45 23 19 -4.1 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5411776 195843 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1443 45 23 19 -4.1 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
56648035 70632 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1541 31 18 16 1.2 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930553 70632 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1541 31 18 16 1.2 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949738 70632 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1541 31 18 16 1.2 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL218806 211859 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CCCNC(=N)N 10.1021/jm0607350
11950261 16664 None 8 Human Binding pIC50 = 8.5 8.5 - 1
Inhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.5 8.5 - 1
Inhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.5 8.5 - 1
Inhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16664 None 8 Human Binding pIC50 = 8.5 8.5 - 1
Inhibition of Mab 12G5 binding to CXCR4 D171A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D171A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16664 None 8 Human Binding pIC50 = 8.5 8.5 - 1
Inhibition of Mab 12G5 binding to CXCR4 D171A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D171A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16664 None 8 Human Binding pIC50 = 8.5 8.5 - 1
Inhibition of Mab 12G5 binding to CXCR4 D171A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D171A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
46830205 8779 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
ChEMBL 388 7 0 4 4.6 CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 10.1016/j.bmcl.2010.03.118
CHEMBL1096504 8779 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
ChEMBL 388 7 0 4 4.6 CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 10.1016/j.bmcl.2010.03.118
155521909 170786 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 578 9 3 8 4.1 c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL4451705 170786 None 0 Human Binding pIC50 = 8.5 8.5 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 578 9 3 8 4.1 c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL438934 216274 None 0 Human Binding pIC50 = 8.4 8.4 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL None None None COc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)CSSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC2=O)cc1 10.1021/jm049429h
138501632 180128 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 392 4 0 6 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@@H]3C2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4747341 180128 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 392 4 0 6 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@@H]3C2)n1 10.1016/j.ejmech.2019.111914
72546294 103883 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 392 8 1 4 3.8 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
CHEMBL3091681 103883 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 392 8 1 4 3.8 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/ml400183q
11256587 2462 None 36 Human Binding pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/ml400183q
11256587.0 2462 None 36 Human Binding pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/ml400183q
8580 2462 None 36 Human Binding pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/ml400183q
CHEMBL518924 2462 None 36 Human Binding pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/ml400183q
DB05501 2462 None 36 Human Binding pIC50 = 7.5 7.5 - 1
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 349 7 2 4 3.6 NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 10.1021/ml400183q
4410 3137 None 64 Human Binding pIC50 = 7.5 7.5 -524 5
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/ml400183q
65015 3137 None 64 Human Binding pIC50 = 7.5 7.5 -524 5
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/ml400183q
65015.0 3137 None 64 Human Binding pIC50 = 7.5 7.5 -524 5
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/ml400183q
844 3137 None 64 Human Binding pIC50 = 7.5 7.5 -524 5
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/ml400183q
CHEMBL18442 3137 None 64 Human Binding pIC50 = 7.5 7.5 -524 5
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/ml400183q
DB06809 3137 None 64 Human Binding pIC50 = 7.5 7.5 -524 5
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/ml400183q
CHEMBL3914095 214909 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
71716526 88249 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 874 17 10 4 11.1 N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
CHEMBL2347635 88249 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 874 17 10 4 11.1 N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
45231166 193951 None 1 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of human recombinant CXCR4 expressed in THP-1 cellsInhibition of human recombinant CXCR4 expressed in THP-1 cells
ChEMBL 340 7 1 3 3.4 Cc1nc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c[nH]1 10.1021/acs.jmedchem.6b01309
CHEMBL5275177 193951 None 1 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of human recombinant CXCR4 expressed in THP-1 cellsInhibition of human recombinant CXCR4 expressed in THP-1 cells
ChEMBL 340 7 1 3 3.4 Cc1nc(CN(C)CC2CCCN(CCc3ccccc3C)C2)c[nH]1 10.1021/acs.jmedchem.6b01309
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1128/aac.01727-08
44561446 169588 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 570 10 8 5 2.5 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)C3CCN(C(=N)N)CC3)ccc21 10.1016/j.bmcl.2008.05.092
CHEMBL443092 169588 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 570 10 8 5 2.5 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)C3CCN(C(=N)N)CC3)ccc21 10.1016/j.bmcl.2008.05.092
44561483 179292 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 516 11 9 5 1.4 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)CNC(=N)N)ccc21 10.1016/j.bmcl.2008.05.092
CHEMBL472323 179292 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 516 11 9 5 1.4 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)CNC(=N)N)ccc21 10.1016/j.bmcl.2008.05.092
CHEMBL414085 161878 None 0 Human Binding pIC50 = 4.5 4.5 - 0
Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through C-X-C chemokine receptor type 4Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through C-X-C chemokine receptor type 4
ChEMBL 1982 47 31 26 -6.6 C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(02)00041-0
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2019.111914
56648036 70642 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2013 43 23 25 -2.8 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 10.1021/jm2009716
91930561 70642 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2013 43 23 25 -2.8 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 10.1021/jm2009716
CHEMBL1949888 70642 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2013 43 23 25 -2.8 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 10.1021/jm2009716
134138747 147544 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3170 84 51 43 -9.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3930215 147544 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3170 84 51 43 -9.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
172470899 197185 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5440654 197185 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1475 47 23 20 -4.0 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C 10.1021/acs.jmedchem.3c01128
70695561 78009 None 0 Human Binding pIC50 = 4.5 4.5 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 698 12 10 7 1.0 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
CHEMBL2096822 78009 None 0 Human Binding pIC50 = 4.5 4.5 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 698 12 10 7 1.0 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)/C=C\[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
172463834 196862 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
CHEMBL5433597 196862 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1479 48 23 21 -4.5 CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O 10.1021/acs.jmedchem.3c01128
171348196 193873 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 583 21 6 6 5.9 c1c(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)cc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
CHEMBL5273456 193873 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 583 21 6 6 5.9 c1c(CNCCCNC2CCCCC2)cc(CNCCCNC2CCCCC2)cc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
155539331 172943 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 328 6 1 2 4.3 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4514484 172943 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 328 6 1 2 4.3 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
155554725 174712 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 344 6 2 3 4.0 Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
CHEMBL4557428 174712 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 344 6 2 3 4.0 Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
155566844 176715 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 362 6 1 2 5.0 Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4585865 176715 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 362 6 1 2 5.0 Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4597725 176715 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 362 6 1 2 5.0 Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
155523400 170853 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4452433 170853 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
155561098 175083 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 334 6 1 2 4.7 Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4566356 175083 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 334 6 1 2 4.7 Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1 10.1016/j.ejmech.2018.10.060
138501614 182488 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.3 Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4785166 182488 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisInhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
ChEMBL 352 4 0 6 2.3 Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
155546536 173664 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 501 8 3 7 3.0 c1ccc(CN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL4532299 173664 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 501 8 3 7 3.0 c1ccc(CN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
5275847 79026 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 715 12 11 8 -0.8 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
CHEMBL2113071 79026 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
ChEMBL 715 12 11 8 -0.8 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm049429h
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114150
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114797
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114797
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114797
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114797
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114797
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodDisplacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2022.114797
145976496 163651 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 5 0 6 2.3 CCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4203042 163651 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 352 5 0 6 2.3 CCN1CCN(N(Cc2ccncn2)C2CCCc3cccnc32)CC1 10.1016/j.ejmech.2018.02.042
134158362 158705 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of PE-conjugated 12G5 antibody bindingAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of PE-conjugated 12G5 antibody binding
ChEMBL 904 14 13 11 -0.2 C[C@H](NC(=O)c1cccc(NC(=N)N)c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01830
CHEMBL4092239 158705 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of PE-conjugated 12G5 antibody bindingAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of PE-conjugated 12G5 antibody binding
ChEMBL 904 14 13 11 -0.2 C[C@H](NC(=O)c1cccc(NC(=N)N)c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01830
4410 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
65015 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
65015.0 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
844 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
CHEMBL18442 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
DB06809 3137 None 64 Human Binding pIC50 = 6.5 6.5 -524 5
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1016/j.ejmech.2020.112410
25147749 2094 None 18 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
2899 2094 None 18 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
CHEMBL460491 2094 None 18 Human Binding pIC50 = 6.5 6.5 - 0
Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assayAntagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/acsmedchemlett.8b00441
138501659 182708 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 391 4 0 7 2.3 Cc1nc(CN(C)C2CCCc3cccnc32)c(C#N)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4788248 182708 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 391 4 0 7 2.3 Cc1nc(CN(C)C2CCCc3cccnc32)c(C#N)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
56648231 70636 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1653 39 18 16 4.3 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930556 70636 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1653 39 18 16 4.3 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949741 70636 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1653 39 18 16 4.3 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL192368 211548 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
70694123 74580 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 712 12 11 7 0.6 N=C(N)NCCC[C@H]1/C=C/[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm2016914
CHEMBL2029608 74580 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 712 12 11 7 0.6 N=C(N)NCCC[C@H]1/C=C/[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm2016914
70694478 75490 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/ml200047e
CHEMBL2042234 75490 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/ml200047e
CHEMBL3923282 214915 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting methodDisplacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method
ChEMBL None None None CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
172458784 196188 None 0 Human Binding pIC50 = 6.5 6.5 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assay
ChEMBL 966 17 3 10 10.1 CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 10.1021/acs.jmedchem.3c00151
CHEMBL5418367 196188 None 0 Human Binding pIC50 = 6.5 6.5 - 1
Binding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assayBinding affinity to Nluc-CXCR4 (unknown origin) stably expressed in HEK293G cells using furimazine as substrate incubated for 2 hrs followed by substrate addition in presence of 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene by NanoBRET assay
ChEMBL 966 17 3 10 10.1 CC1(C)CN2C(CS/C(=N/[C@H]3CC[C@H](NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)CC3)NC3CCCCC3)=CSC2=N1 10.1021/acs.jmedchem.3c00151
155558653 174866 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2759 97 37 39 -9.7 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4561023 174866 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2759 97 37 39 -9.7 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL3955461 214949 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
118965334 156812 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 470 14 5 10 2.1 c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4070263 156812 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 470 14 5 10 2.1 c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
118965395 156304 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 613 19 6 12 1.7 Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4064397 156304 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 613 19 6 12 1.7 Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
172455253 196429 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1401 44 21 19 -3.6 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C 10.1021/acs.jmedchem.3c01128
CHEMBL5423812 196429 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysisDisplacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
ChEMBL 1401 44 21 19 -3.6 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C 10.1021/acs.jmedchem.3c01128
57345320 3832 None 11 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
9882 3832 None 11 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
CHEMBL3091687 3832 None 11 Human Binding pIC50 = 7.5 7.5 - 0
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
5275843 216139 None 27 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmcl.2008.05.092
CHEMBL2180076 216139 None 27 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmcl.2008.05.092
CHEMBL436283 216139 None 27 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmcl.2008.05.092
132578414 149850 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysisDisplacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysis
ChEMBL 277 4 0 5 0.7 c1cc(CN2CCOCC2)nc(CN2CCOCC2)c1 10.1016/j.bmc.2016.08.018
CHEMBL3948266 149850 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysisDisplacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysis
ChEMBL 277 4 0 5 0.7 c1cc(CN2CCOCC2)nc(CN2CCOCC2)c1 10.1016/j.bmc.2016.08.018
53321478 58456 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 298 8 1 4 3.1 Cc1cccnc1CN(CCCCN)[C@@H](C)c1ccccn1 10.1016/j.bmcl.2011.01.021
CHEMBL1682998 58456 None 0 Human Binding pIC50 = 7.5 7.5 - 0
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 298 8 1 4 3.1 Cc1cccnc1CN(CCCCN)[C@@H](C)c1ccccn1 10.1016/j.bmcl.2011.01.021
44418885 83359 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL 743 12 12 8 -0.7 N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O 10.1021/jm0607350
CHEMBL219135 83359 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL 743 12 12 8 -0.7 N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O 10.1021/jm0607350
CHEMBL3922941 214914 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
171351449 193582 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 459 15 4 6 4.4 O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
CHEMBL5266216 193582 None 0 Human Binding pIC50 = 6.5 6.5 - 0
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay methodBinding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
ChEMBL 459 15 4 6 4.4 O=[N+]([O-])c1cc(CNCCCNC2CCCCC2)ccc1CNCCCNC1CCCCC1 10.1016/j.ejmech.2020.112410
25181075 173529 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 392 4 0 5 4.9 CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 10.1021/jm801065q
CHEMBL452868 173529 None 0 Human Binding pIC50 = 5.5 5.5 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 392 4 0 5 4.9 CN(/C(=N/C1CCCCC1)SCC1=CSC2=NCCN12)C1CCCCC1 10.1021/jm801065q
138501634 182504 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 410 8 1 7 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCCN2CCOCC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4785495 182504 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 410 8 1 7 2.8 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCCN2CCOCC2)n1 10.1016/j.ejmech.2019.111914
10126019 7730 None 17 Human Binding pIC50 = 7.4 7.4 - 0
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.03.118
CHEMBL1088913 7730 None 17 Human Binding pIC50 = 7.4 7.4 - 0
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.03.118
56955853 138811 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 501 12 5 7 4.8 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 10.1016/j.ejmech.2018.02.043
CHEMBL3779982 138811 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 501 12 5 7 4.8 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 10.1016/j.ejmech.2018.02.043
137651859 157322 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 959 18 15 13 -2.6 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4076358 157322 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 959 18 15 13 -2.6 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
162666072 182407 None 0 Human Binding pIC50 = 5.4 5.4 - 1
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 mins
ChEMBL 979 21 7 15 2.2 CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 10.1021/acsmedchemlett.0c00444
CHEMBL4784104 182407 None 0 Human Binding pIC50 = 5.4 5.4 - 1
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 mins
ChEMBL 979 21 7 15 2.2 CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1 10.1021/acsmedchemlett.0c00444
CHEMBL266632 97063 None 0 Human Binding pIC50 = 4.4 4.4 - 0
Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4
ChEMBL 1988 49 30 27 -7.0 C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(02)00041-0
CHEMBL3905094 214902 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
137640469 157172 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1014 19 14 14 -1.4 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4074277 157172 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1014 19 14 14 -1.4 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL1949730 211559 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL None None None CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=N)N 10.1021/ml200047e
44561527 171938 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 606 13 9 5 3.0 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 10.1016/j.bmcl.2008.05.092
CHEMBL446868 171938 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 606 13 9 5 3.0 N=C(N)NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=N)N)ccc21 10.1016/j.bmcl.2008.05.092
25178140 176847 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 364 4 1 5 4.2 C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL460299 176847 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 364 4 1 5 4.2 C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL2012651 211585 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1)C(=O)O 10.1021/ml200084n
71719570 88248 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 874 17 10 4 11.1 N=C(NCCCN(CCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
CHEMBL2347634 88248 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 874 17 10 4 11.1 N=C(NCCCN(CCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
25178134 174267 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 350 4 1 5 3.8 C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
CHEMBL454689 174267 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 350 4 1 5 3.8 C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1 10.1021/jm801065q
56648501 70643 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2113 46 25 27 -4.9 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930562 70643 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2113 46 25 27 -4.9 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949889 70643 None 0 Human Binding pIC50 = 7.4 7.4 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 2113 46 25 27 -4.9 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
71525976 153578 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 453 7 3 8 3.1 Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1 10.1021/acs.jmedchem.5b01337
CHEMBL3979652 153578 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL 453 7 3 8 3.1 Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1 10.1021/acs.jmedchem.5b01337
155539331 172943 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 328 6 1 2 4.3 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4514484 172943 None 0 Human Binding pIC50 = 5.4 5.4 - 0
Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assayAntagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
ChEMBL 328 6 1 2 4.3 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 10.1016/j.ejmech.2018.10.060
137660848 159194 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 599 19 6 12 1.4 O=C(O)CNCCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 10.1021/acs.jmedchem.7b01322
CHEMBL4097496 159194 None 0 Human Binding pIC50 = 6.4 6.4 - 0
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
ChEMBL 599 19 6 12 1.4 O=C(O)CNCCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 10.1021/acs.jmedchem.7b01322
56647830 70628 None 0 Human Binding pIC50 = 8.4 8.4 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1499 28 18 16 -0.0 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930549 70628 None 0 Human Binding pIC50 = 8.4 8.4 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1499 28 18 16 -0.0 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949734 70628 None 0 Human Binding pIC50 = 8.4 8.4 - 0
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement o