Ligand source activities (1 row/activity)





Ligands Receptor Assay information Chemical information
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name
GPCRdb ID #Vendors Reference
ligand
Fold selectivity
(Potency)
# tested GPCRs
(Potency)
Species p-value
(-log)
Type Activity
Relation
Activity
Value
Assay Type Assay Description Source Mol
weight
Rot
Bonds
H don H acc LogP Smiles DOI
74265 201886 96 None -2 3 Human 6.0 pEC50 = 6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 236 0 0 2 4.0 Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C 10.1021/jm301121j
CHEMBL99384 201886 96 None -2 3 Human 6.0 pEC50 = 6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 236 0 0 2 4.0 Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C 10.1021/jm301121j
14434082 83148 6 None -1 3 Human 5.0 pEC50 = 5 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 236 2 0 4 2.4 O=Cc1ccnc2c1ccc1c(C=O)ccnc12 10.1021/jm301121j
CHEMBL2205801 83148 6 None -1 3 Human 5.0 pEC50 = 5 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 236 2 0 4 2.4 O=Cc1ccnc2c1ccc1c(C=O)ccnc12 10.1021/jm301121j
16726107 82855 3 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 475 7 1 6 4.4 Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 10.1021/jm061389p
CHEMBL220199 82855 3 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 475 7 1 6 4.4 Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 10.1021/jm061389p
14338 4136 106 None -3 3 Human 5.0 pEC50 = 5.0 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccnc(-c2cc(C)ccn2)c1 10.1021/jm301121j
CHEMBL101165 4136 106 None -3 3 Human 5.0 pEC50 = 5.0 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccnc(-c2cc(C)ccn2)c1 10.1021/jm301121j
14338 4136 106 None -3 3 Human 4.9 pEC50 = 4.9 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccnc(-c2cc(C)ccn2)c1 10.1021/jm301121j
CHEMBL101165 4136 106 None -3 3 Human 4.9 pEC50 = 4.9 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccnc(-c2cc(C)ccn2)c1 10.1021/jm301121j
16301115 82801 5 None - 1 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 435 7 1 6 3.8 Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 10.1021/jm061389p
CHEMBL219769 82801 5 None - 1 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 435 7 1 6 3.8 Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 10.1021/jm061389p
93149 106494 66 None -16 3 Human 5.8 pEC50 = 5.8 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1ccnc2c1ccc1cccnc12 10.1021/jm301121j
CHEMBL316589 106494 66 None -16 3 Human 5.8 pEC50 = 5.8 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1ccnc2c1ccc1cccnc12 10.1021/jm301121j
3258407 84256 17 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 389 9 1 5 4.9 C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC 10.1021/jm061389p
CHEMBL223686 84256 17 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 389 9 1 5 4.9 C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC 10.1021/jm061389p
12987698 83155 2 None 2 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1cnc2c(ccc3cc(C)cnc32)c1 10.1021/jm301121j
CHEMBL2205809 83155 2 None 2 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1cnc2c(ccc3cc(C)cnc32)c1 10.1021/jm301121j
1474 153611 124 None -1 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 156 1 0 2 2.1 c1ccc(-c2ccccn2)nc1 10.1021/jm301121j
CHEMBL39879 153611 124 None -1 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 156 1 0 2 2.1 c1ccc(-c2ccccn2)nc1 10.1021/jm301121j
12987698 83155 2 None 2 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1cnc2c(ccc3cc(C)cnc32)c1 10.1021/jm301121j
CHEMBL2205809 83155 2 None 2 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1cnc2c(ccc3cc(C)cnc32)c1 10.1021/jm301121j
15783796 83157 1 None -3 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1cnc2c(ccc3cccnc32)c1 10.1021/jm301121j
CHEMBL2205810 83157 1 None -3 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1cnc2c(ccc3cccnc32)c1 10.1021/jm301121j
93149 106494 66 None -16 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1ccnc2c1ccc1cccnc12 10.1021/jm301121j
CHEMBL316589 106494 66 None -16 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1ccnc2c1ccc1cccnc12 10.1021/jm301121j
2733927 83154 80 None -4 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 216 3 0 4 2.2 COc1ccnc(-c2cc(OC)ccn2)c1 10.1021/jm301121j
CHEMBL2205808 83154 80 None -4 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 216 3 0 4 2.2 COc1ccnc(-c2cc(OC)ccn2)c1 10.1021/jm301121j
1474 153611 124 None -1 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 156 1 0 2 2.1 c1ccc(-c2ccccn2)nc1 10.1021/jm301121j
CHEMBL39879 153611 124 None -1 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 156 1 0 2 2.1 c1ccc(-c2ccccn2)nc1 10.1021/jm301121j
16728788 82802 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 450 7 1 7 3.4 Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 10.1021/jm061389p
CHEMBL219770 82802 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 450 7 1 7 3.4 Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 10.1021/jm061389p
15783796 83157 1 None -3 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1cnc2c(ccc3cccnc32)c1 10.1021/jm301121j
CHEMBL2205810 83157 1 None -3 3 Human 5.7 pEC50 = 5.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 194 0 0 2 3.1 Cc1cnc2c(ccc3cccnc32)c1 10.1021/jm301121j
2733927 83154 80 None -4 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 216 3 0 4 2.2 COc1ccnc(-c2cc(OC)ccn2)c1 10.1021/jm301121j
CHEMBL2205808 83154 80 None -4 3 Human 4.7 pEC50 = 4.7 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 216 3 0 4 2.2 COc1ccnc(-c2cc(OC)ccn2)c1 10.1021/jm301121j
15664 83153 85 None 2 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccc(-c2ccc(C)cn2)nc1 10.1021/jm301121j
CHEMBL2205807 83153 85 None 2 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccc(-c2ccc(C)cn2)nc1 10.1021/jm301121j
137660245 158475 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assayPositive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
ChEMBL 461 7 1 4 4.4 CC(C)CN1CC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc2C1=O 10.1016/j.ejmech.2017.04.046
CHEMBL4099473 158475 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assayPositive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
ChEMBL 461 7 1 4 4.4 CC(C)CN1CC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc2C1=O 10.1016/j.ejmech.2017.04.046
15664 83153 85 None 2 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccc(-c2ccc(C)cn2)nc1 10.1021/jm301121j
CHEMBL2205807 83153 85 None 2 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 184 1 0 2 2.8 Cc1ccc(-c2ccc(C)cn2)nc1 10.1021/jm301121j
72792 193321 71 None -5 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccnc2c1ccc1c(C)ccnc12 10.1021/jm301121j
CHEMBL593442 193321 71 None -5 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccnc2c1ccc1c(C)ccnc12 10.1021/jm301121j
72792 193321 71 None -5 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccnc2c1ccc1c(C)ccnc12 10.1021/jm301121j
CHEMBL593442 193321 71 None -5 3 Human 5.6 pEC50 = 5.6 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccnc2c1ccc1c(C)ccnc12 10.1021/jm301121j
70848 200227 94 None -5 3 Human 4.5 pEC50 = 4.5 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 233 2 0 3 3.2 c1ccc(-c2cccc(-c3ccccn3)n2)nc1 10.1021/jm301121j
CHEMBL89445 200227 94 None -5 3 Human 4.5 pEC50 = 4.5 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 233 2 0 3 3.2 c1ccc(-c2cccc(-c3ccccn3)n2)nc1 10.1021/jm301121j
1167892 82804 1 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 463 9 1 6 4.7 Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 10.1021/jm061389p
CHEMBL219781 82804 1 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assayAgonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
ChEMBL 463 9 1 6 4.7 Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 10.1021/jm061389p
70848 200227 94 None -5 3 Human 4.5 pEC50 = 4.5 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 233 2 0 3 3.2 c1ccc(-c2cccc(-c3ccccn3)n2)nc1 10.1021/jm301121j
CHEMBL89445 200227 94 None -5 3 Human 4.5 pEC50 = 4.5 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 233 2 0 3 3.2 c1ccc(-c2cccc(-c3ccccn3)n2)nc1 10.1021/jm301121j
10585 1024 1 None -1 2 Human 8.4 pEC50 = 8.4 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
145996522 1024 1 None -1 2 Human 8.4 pEC50 = 8.4 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
CHEMBL4531005 1024 1 None -1 2 Human 8.4 pEC50 = 8.4 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
1318 161156 105 None -4 4 Human 5.3 pEC50 = 5.3 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 180 0 0 2 2.8 c1cnc2c(c1)ccc1cccnc12 10.1021/jm301121j
CHEMBL415879 161156 105 None -4 4 Human 5.3 pEC50 = 5.3 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 180 0 0 2 2.8 c1cnc2c(c1)ccc1cccnc12 10.1021/jm301121j
10585 1024 1 None -1 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
145996522 1024 1 None -1 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
CHEMBL4531005 1024 1 None -1 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
155491018 173249 1 None 2 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
CHEMBL4544504 173249 1 None 2 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
155491018 173249 1 None 2 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
CHEMBL4544504 173249 1 None 2 2 Human 8.3 pEC50 = 8.3 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
1318 161156 105 None -4 4 Human 5.3 pEC50 = 5.3 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 180 0 0 2 2.8 c1cnc2c(c1)ccc1cccnc12 10.1021/jm301121j
CHEMBL415879 161156 105 None -4 4 Human 5.3 pEC50 = 5.3 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 180 0 0 2 2.8 c1cnc2c(c1)ccc1cccnc12 10.1021/jm301121j
155491018 173249 1 None 2 2 Human 8.2 pEC50 = 8.2 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
CHEMBL4544504 173249 1 None 2 2 Human 8.2 pEC50 = 8.2 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
155491018 173249 1 None 2 2 Human 8.2 pEC50 = 8.2 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
CHEMBL4544504 173249 1 None 2 2 Human 8.2 pEC50 = 8.2 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
65237 136848 88 None -28 2 Human 4.2 pEC50 = 4.2 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccc2ccc3ccc(C)nc3c2n1 10.1021/jm301121j
CHEMBL375781 136848 88 None -28 2 Human 4.2 pEC50 = 4.2 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccc2ccc3ccc(C)nc3c2n1 10.1021/jm301121j
65237 136848 88 None -28 2 Human 4.2 pEC50 = 4.2 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccc2ccc3ccc(C)nc3c2n1 10.1021/jm301121j
CHEMBL375781 136848 88 None -28 2 Human 4.2 pEC50 = 4.2 Functional
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysisAllosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
ChEMBL 208 0 0 2 3.4 Cc1ccc2ccc3ccc(C)nc3c2n1 10.1021/jm301121j
183790 3527 6 None -2 4 Human 8.2 pEC50 = 8.2 Functional
Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assayPositive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1016/j.ejmech.2017.04.046
783 3527 6 None -2 4 Human 8.2 pEC50 = 8.2 Functional
Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assayPositive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1016/j.ejmech.2017.04.046
CHEMBL1178786 3527 6 None -2 4 Human 8.2 pEC50 = 8.2 Functional
Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assayPositive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1016/j.ejmech.2017.04.046
10585 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
145996522 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
CHEMBL4531005 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
10585 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
145996522 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
CHEMBL4531005 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
10585 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
145996522 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
CHEMBL4531005 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
155491018 173249 1 None 2 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
CHEMBL4544504 173249 1 None 2 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
10585 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
145996522 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
CHEMBL4531005 1024 1 None -1 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 351 3 2 5 3.0 Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C 10.1021/acs.jmedchem.9b00742
155491018 173249 1 None 2 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
CHEMBL4544504 173249 1 None 2 2 Human 8.1 pEC50 = 8.1 Functional
Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
ChEMBL 395 3 2 5 3.1 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 10.1021/acs.jmedchem.9b00742
15941255 81140 0 None - 1 Human 10.1 pIC50 = 10.1 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 527 9 2 6 4.5 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1 10.1021/ml2002604
CHEMBL2164207 81140 0 None - 1 Human 10.1 pIC50 = 10.1 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 527 9 2 6 4.5 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1 10.1021/ml2002604
57402801 68665 0 None - 1 Human 10.1 pIC50 = 10.1 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 600 12 2 7 5.2 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C(=O)NC(C)C)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926899 68665 0 None - 1 Human 10.1 pIC50 = 10.1 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 600 12 2 7 5.2 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C(=O)NC(C)C)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1649924 56709 0 None - 1 Human 10.0 pIC50 = 10 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 497 6 1 6 3.9 COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1 10.1021/jm100978n
15940800 81135 0 None - 1 Human 10.0 pIC50 = 10 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 561 10 1 7 3.9 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1 10.1021/ml2002604
CHEMBL2164202 81135 0 None - 1 Human 10.0 pIC50 = 10 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 561 10 1 7 3.9 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1 10.1021/ml2002604
15941086 81143 0 None - 1 Human 10.0 pIC50 = 10 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 518 9 2 7 3.7 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2Cl)CC1 10.1021/ml2002604
CHEMBL2164210 81143 0 None - 1 Human 10.0 pIC50 = 10 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 518 9 2 7 3.7 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2Cl)CC1 10.1021/ml2002604
11285792 838 24 None -3 6 Human 10.0 pIC50 = 10 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
801 838 24 None -3 6 Human 10.0 pIC50 = 10 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
CHEMBL2110727 838 24 None -3 6 Human 10.0 pIC50 = 10 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
DB11758 838 24 None -3 6 Human 10.0 pIC50 = 10 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
62706107 81150 0 None - 1 Human 10.0 pIC50 = 10.0 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 554 9 2 6 5.5 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccnc2)CC1 10.1021/ml2002604
CHEMBL2164217 81150 0 None - 1 Human 10.0 pIC50 = 10.0 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 554 9 2 6 5.5 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccnc2)CC1 10.1021/ml2002604
11650548 102843 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 697 17 1 8 8.1 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 10.1021/jm0509703
CHEMBL3085308 102843 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 697 17 1 8 8.1 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 10.1021/jm0509703
15947119 68659 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 549 10 1 6 5.7 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926893 68659 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 549 10 1 6 5.7 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1201187 14159 0 None 2 2 Human 9.7 pIC50 = 9.7 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 513 8 1 5 6.0 Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 10.1021/jm100978n
CHEMBL1649926 56711 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 497 6 1 6 3.9 COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1cccc(F)c1 10.1021/jm100978n
CHEMBL1649927 56712 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 513 6 1 7 4.1 COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(=O)OC)CC3)C2)c1cccc(F)c1 10.1021/jm100978n
CHEMBL1201187 14159 0 None 2 2 Human 9.7 pIC50 = 9.7 Functional
Inhibition of CCR5 in human TZM-bl cells infected with HIV1 Bal R5 assessed as antiviral activity by measuring reduction in viral infection pre-incubated with cells followed by viral infection measured after 3 days by luciferase reporter gene assayInhibition of CCR5 in human TZM-bl cells infected with HIV1 Bal R5 assessed as antiviral activity by measuring reduction in viral infection pre-incubated with cells followed by viral infection measured after 3 days by luciferase reporter gene assay
ChEMBL 513 8 1 5 6.0 Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 10.1016/j.bmc.2016.12.035
11285792 838 24 None -3 6 Human 9.7 pIC50 = 9.7 Functional
Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cellsInhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
801 838 24 None -3 6 Human 9.7 pIC50 = 9.7 Functional
Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cellsInhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
CHEMBL2110727 838 24 None -3 6 Human 9.7 pIC50 = 9.7 Functional
Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cellsInhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
DB11758 838 24 None -3 6 Human 9.7 pIC50 = 9.7 Functional
Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cellsInhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
ChEMBL 696 17 1 7 8.7 CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC 10.1021/jm0509703
11513274 102844 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 734 17 1 9 8.0 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 10.1021/jm0509703
CHEMBL3085309 102844 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 734 17 1 9 8.0 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 10.1021/jm0509703
9810893 102842 0 None - 1 Human 9.6 pIC50 = 9.6 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 682 17 1 7 8.5 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 10.1021/jm0509703
CHEMBL3085307 102842 0 None - 1 Human 9.6 pIC50 = 9.6 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 682 17 1 7 8.5 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 10.1021/jm0509703
44511934 68662 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 533 10 1 6 5.2 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926896 68662 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 533 10 1 6 5.2 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
44512090 68664 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 540 10 1 7 5.0 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926898 68664 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 540 10 1 7 5.0 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
44512058 68673 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 551 10 1 8 4.5 COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1927008 68673 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 551 10 1 8 4.5 COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
44511938 68674 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 560 10 1 7 5.3 COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1927009 68674 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 560 10 1 7 5.3 COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1649922 56708 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 479 6 1 6 3.8 COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 10.1021/jm100978n
62706110 81136 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 491 8 2 5 4.2 CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL2164203 81136 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 491 8 2 5 4.2 CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
15940799 81138 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 493 8 3 6 4.0 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NO)CC1 10.1021/ml2002604
CHEMBL2164205 81138 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 493 8 3 6 4.0 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NO)CC1 10.1021/ml2002604
57384005 81139 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 507 9 2 6 4.2 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL2164206 81139 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 507 9 2 6 4.2 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
57384006 81144 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 551 12 2 7 4.2 COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL2164211 81144 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 551 12 2 7 4.2 COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
50915506 18685 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 848 11 2 6 8.2 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F 10.1016/j.bmcl.2010.10.033
CHEMBL1288663 18685 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 848 11 2 6 8.2 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F 10.1016/j.bmcl.2010.10.033
CHEMBL257000 94750 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor by [35S]GTP-gamma-S binding assayAntagonist activity at CCR5 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 608 7 1 5 6.4 CC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@@H]3CC[C@H](C2)N3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 10.1016/j.bmcl.2007.12.058
CHEMBL1649919 56704 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 463 6 1 5 3.5 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1ccccc1 10.1021/jm100978n
CHEMBL1649920 56706 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 477 7 1 5 3.9 CCC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 10.1021/jm100978n
CHEMBL1649921 56707 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 491 7 1 5 4.2 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(=O)C(C)C)CC3)C2)c1ccccc1 10.1021/jm100978n
59458228 81141 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 558 11 3 7 3.6 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1 10.1021/ml2002604
CHEMBL2164208 81141 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 558 11 3 7 3.6 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1 10.1021/ml2002604
59458061 81142 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 543 9 2 6 3.7 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)[n+]([O-])c2Cl)CC1 10.1021/ml2002604
CHEMBL2164209 81142 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 543 9 2 6 3.7 CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)[n+]([O-])c2Cl)CC1 10.1021/ml2002604
15941083 81152 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 506 10 1 6 4.1 COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL2164219 81152 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 506 10 1 6 4.1 COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
15940801 81153 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 501 9 1 6 4.3 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC#N)CC1 10.1021/ml2002604
CHEMBL2164220 81153 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 501 9 1 6 4.3 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC#N)CC1 10.1021/ml2002604
5275766 3523 25 None - 1 Human 9.4 pIC50 = 9.4 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 552 9 1 4 4.7 CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N 10.1021/jm051034q
800 3523 25 None - 1 Human 9.4 pIC50 = 9.4 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 552 9 1 4 4.7 CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N 10.1021/jm051034q
CHEMBL207004 3523 25 None - 1 Human 9.4 pIC50 = 9.4 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 552 9 1 4 4.7 CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N 10.1021/jm051034q
11700429 102846 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 710 17 1 7 9.1 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 10.1021/jm0509703
CHEMBL3085311 102846 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 710 17 1 7 9.1 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 10.1021/jm0509703
CHEMBL1649913 56698 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 416 6 1 4 4.8 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3ccccc31)C2)c1ccccc1 10.1021/jm100978n
15940498 81145 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 611 11 3 6 5.5 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc(C(=O)O)cc2)CC1 10.1021/ml2002604
CHEMBL2164212 81145 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 611 11 3 6 5.5 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc(C(=O)O)cc2)CC1 10.1021/ml2002604
457871 100031 1 None - 1 Human 9.3 pIC50 = 9.3 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 483 4 1 3 5.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 10.1021/jm031046g
CHEMBL292625 100031 1 None - 1 Human 9.3 pIC50 = 9.3 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 483 4 1 3 5.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 10.1021/jm031046g
44511935 68666 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 593 13 1 7 5.8 COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926900 68666 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 593 13 1 7 5.8 COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1649925 56710 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 479 6 1 6 3.8 COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1ccccc1 10.1021/jm100978n
3008904 193563 1 None 1 2 Human 9.2 pIC50 = 9.2 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 537 6 0 5 5.0 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL59511 193563 1 None 1 2 Human 9.2 pIC50 = 9.2 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 537 6 0 5 5.0 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 10.1021/jm031046g
11614352 527 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxis
ChEMBL 639 11 0 6 4.1 CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C 10.1016/j.bmcl.2011.12.117
7686 527 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxis
ChEMBL 639 11 0 6 4.1 CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C 10.1016/j.bmcl.2011.12.117
CHEMBL1951914 527 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxis
ChEMBL 639 11 0 6 4.1 CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C 10.1016/j.bmcl.2011.12.117
57392303 68657 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 535 10 1 6 5.4 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ccnc3Cl)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926891 68657 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 535 10 1 6 5.4 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ccnc3Cl)CC2)cc1 10.1016/j.bmcl.2011.09.133
44512001 68675 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 544 10 1 7 4.8 COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1927010 68675 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 544 10 1 7 4.8 COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
62706106 81148 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 560 10 1 6 5.2 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 10.1021/ml2002604
CHEMBL2164215 81148 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 560 10 1 6 5.2 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 10.1021/ml2002604
3008917 196377 2 None -6 2 Human 9.2 pIC50 = 9.2 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 481 5 0 3 6.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL62152 196377 2 None -6 2 Human 9.2 pIC50 = 9.2 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 481 5 0 3 6.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
44511871 68667 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 584 13 1 8 5.0 COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926901 68667 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 584 13 1 8 5.0 COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
72711958 91998 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 574 9 1 5 5.4 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435864 91998 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 574 9 1 5 5.4 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
72711740 92043 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 581 9 1 5 5.2 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435909 92043 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 581 9 1 5 5.2 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
62706109 81134 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 551 10 1 7 4.5 Cc1cc(C#N)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 10.1021/ml2002604
CHEMBL2164201 81134 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 551 10 1 7 4.5 Cc1cc(C#N)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 10.1021/ml2002604
3008909 192701 1 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 473 4 1 3 5.9 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 10.1021/jm031046g
CHEMBL58897 192701 1 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 473 4 1 3 5.9 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 10.1021/jm031046g
3013701 76518 1 None - 1 Human 9.1 pIC50 = 9.1 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 643 10 0 6 4.7 CS(=O)(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 10.1021/jm051034q
CHEMBL207487 76518 1 None - 1 Human 9.1 pIC50 = 9.1 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 643 10 0 6 4.7 CS(=O)(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 10.1021/jm051034q
72711739 92041 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 551 8 1 4 5.7 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435907 92041 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 551 8 1 4 5.7 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
62706108 81151 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 476 8 1 5 4.4 CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL2164218 81151 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 476 8 1 5 4.4 CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
11636141 102845 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 683 17 1 8 7.9 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CCC)cc1 10.1021/jm0509703
CHEMBL3085310 102845 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 683 17 1 8 7.9 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CCC)cc1 10.1021/jm0509703
57402802 68670 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 583 12 2 8 3.8 Cc1ccncc1CN(c1ccc(OCC(N)=O)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL1926904 68670 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 583 12 2 8 3.8 Cc1ccncc1CN(c1ccc(OCC(N)=O)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1 10.1016/j.bmcl.2011.09.133
46225532 193271 0 None - 1 Human 9.0 pIC50 = 9 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 547 6 0 5 3.8 Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL593042 193271 0 None - 1 Human 9.0 pIC50 = 9 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 547 6 0 5 3.8 Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
3008928 196251 1 None -1 2 Human 9.0 pIC50 = 9 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 483 5 0 5 5.4 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL61424 196251 1 None -1 2 Human 9.0 pIC50 = 9 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 483 5 0 5 5.4 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3013575 75194 1 None - 1 Human 9.0 pIC50 = 9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 682 17 1 7 8.4 CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 10.1021/jm0509703
CHEMBL204821 75194 1 None - 1 Human 9.0 pIC50 = 9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 682 17 1 7 8.4 CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 10.1021/jm0509703
49798082 10555 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 579 9 1 5 5.5 C=CCN(C(=O)OCc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172043 10555 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 579 9 1 5 5.5 C=CCN(C(=O)OCc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
44194590 10560 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 612 9 2 4 5.4 C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172048 10560 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 612 9 2 4 5.4 C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
11353001 58295 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 525 3 0 5 4.5 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 10.1021/ml1001536
CHEMBL1688239 58295 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 525 3 0 5 4.5 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 10.1021/ml1001536
3008927 192459 1 None -2 2 Human 9.0 pIC50 = 9.0 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 482 5 0 4 6.0 Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58387 192459 1 None -2 2 Human 9.0 pIC50 = 9.0 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 482 5 0 4 6.0 Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3008909 192701 1 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 473 4 1 3 5.9 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 10.1021/jm031046g
CHEMBL58897 192701 1 None - 1 Human 9.0 pIC50 = 9.0 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 473 4 1 3 5.9 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 10.1021/jm031046g
72711956 91996 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 588 9 1 5 5.7 Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O 10.1021/jm401101p
CHEMBL2435862 91996 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 588 9 1 5 5.7 Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O 10.1021/jm401101p
3009355 3758 14 None -1 2 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 533 6 0 6 4.5 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F 10.1021/ml1001536
807 3758 14 None -1 2 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 533 6 0 6 4.5 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F 10.1021/ml1001536
CHEMBL82301 3758 14 None -1 2 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 533 6 0 6 4.5 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F 10.1021/ml1001536
DB06652 3758 14 None -1 2 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 533 6 0 6 4.5 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F 10.1021/ml1001536
11605997 58297 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 515 3 0 5 4.8 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 10.1021/ml1001536
CHEMBL1688240 58297 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxisAntagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
ChEMBL 515 3 0 5 4.8 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 10.1021/ml1001536
71458736 81146 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 507 10 1 7 4.8 COc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 10.1021/ml2002604
CHEMBL2164213 81146 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 507 10 1 7 4.8 COc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 10.1021/ml2002604
183790 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Inhibition of chemotactic protein to CCR5Inhibition of chemotactic protein to CCR5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1021/jm010468s
783 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Inhibition of chemotactic protein to CCR5Inhibition of chemotactic protein to CCR5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1021/jm010468s
CHEMBL1178786 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Inhibition of chemotactic protein to CCR5Inhibition of chemotactic protein to CCR5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1021/jm010468s
44512349 68668 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 577 13 1 7 5.2 COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926902 68668 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 577 13 1 7 5.2 COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
72711742 91994 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 573 9 1 4 6.0 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435860 91994 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 573 9 1 4 6.0 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
49864971 15440 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingInhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
ChEMBL 630 9 2 4 5.5 C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 10.1016/j.bmcl.2010.05.046
CHEMBL1222769 15440 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingInhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
ChEMBL 630 9 2 4 5.5 C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 10.1016/j.bmcl.2010.05.046
CHEMBL1649912 56697 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
ChEMBL 513 8 1 5 6.0 Cc1nc(C(C)C)n([C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 10.1021/jm100978n
3008913 101282 1 None -1 2 Human 8.9 pIC50 = 8.9 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 495 6 0 3 6.5 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL301454 101282 1 None -1 2 Human 8.9 pIC50 = 8.9 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 495 6 0 3 6.5 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
183790 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1016/s0960-894x(00)00347-4
783 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1016/s0960-894x(00)00347-4
CHEMBL1178786 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1016/s0960-894x(00)00347-4
183790 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1021/jm0509703
783 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1021/jm0509703
CHEMBL1178786 3527 6 None -2 4 Human 8.9 pIC50 = 8.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 495 6 1 2 6.8 Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C 10.1021/jm0509703
5275759 76540 1 None - 1 Human 8.9 pIC50 = 8.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 590 9 0 5 5.2 CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm051034q
CHEMBL207630 76540 1 None - 1 Human 8.9 pIC50 = 8.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 590 9 0 5 5.2 CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm051034q
9810893 102842 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cellsInhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
ChEMBL 682 17 1 7 8.5 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 10.1021/jm0509703
CHEMBL3085307 102842 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cellsInhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
ChEMBL 682 17 1 7 8.5 CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 10.1021/jm0509703
57395817 68660 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 535 10 1 6 5.4 COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926894 68660 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 535 10 1 6 5.4 COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
72714078 92019 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 565 8 1 4 6.1 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435885 92019 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 565 8 1 4 6.1 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
72714079 92020 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 565 8 1 4 6.1 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435886 92020 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 565 8 1 4 6.1 Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
49871007 58300 5 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 assessed as inhibition of receptor internalizationAntagonist activity at CCR5 assessed as inhibition of receptor internalization
ChEMBL 559 5 0 6 4.8 CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C 10.1021/ml1001536
CHEMBL1688243 58300 5 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 assessed as inhibition of receptor internalizationAntagonist activity at CCR5 assessed as inhibition of receptor internalization
ChEMBL 559 5 0 6 4.8 CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C 10.1021/ml1001536
44194588 10622 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 622 11 2 6 3.2 C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172625 10622 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 622 11 2 6 3.2 C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
57394057 68663 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 519 10 1 6 4.9 COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926897 68663 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 519 10 1 6 4.9 COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
49798089 10562 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 580 9 2 4 4.7 C=CCN(C(=O)NCc1ccc(F)cc1F)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172050 10562 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 580 9 2 4 4.7 C=CCN(C(=O)NCc1ccc(F)cc1F)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
49798090 10563 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 580 9 2 4 4.7 C=CCN(C(=O)NCc1ccc(F)c(F)c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172051 10563 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 580 9 2 4 4.7 C=CCN(C(=O)NCc1ccc(F)c(F)c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
50915506 18685 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 848 11 2 6 8.2 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F 10.1016/j.bmcl.2010.10.033
CHEMBL1288663 18685 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 848 11 2 6 8.2 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F 10.1016/j.bmcl.2010.10.033
49798085 10557 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 562 9 2 4 4.5 C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172045 10557 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 562 9 2 4 4.5 C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
72711741 91993 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 579 9 1 4 6.4 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435859 91993 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 579 9 1 4 6.4 Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
11505350 167963 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 565 8 0 4 6.4 CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm051034q
CHEMBL437494 167963 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 565 8 0 4 6.4 CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm051034q
46225515 193254 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 551 6 0 5 4.1 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL592940 193254 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 551 6 0 5 4.1 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
3008904 193563 1 None 1 2 Human 8.0 pIC50 = 8.0 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 537 6 0 5 5.0 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL59511 193563 1 None 1 2 Human 8.0 pIC50 = 8.0 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 537 6 0 5 5.0 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 10.1021/jm031046g
118727180 116651 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 592 8 0 5 4.2 CC(=O)N1CCC(C(=O)N(CCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
CHEMBL3397991 116651 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 592 8 0 5 4.2 CC(=O)N1CCC(C(=O)N(CCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
44511967 68654 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 516 10 1 7 4.5 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926888 68654 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 516 10 1 7 4.5 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
44511967 68654 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 516 10 1 7 4.5 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 10.1021/ml2002604
CHEMBL1926888 68654 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 516 10 1 7 4.5 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 10.1021/ml2002604
3008907 196261 1 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 405 4 1 3 4.9 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL61465 196261 1 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 405 4 1 3 4.9 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1 10.1021/jm031046g
505868 27397 1 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 488 8 0 4 5.6 CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL137072 27397 1 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 488 8 0 4 5.6 CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
44357072 97814 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 553 12 1 7 4.7 CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL275998 97814 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 553 12 1 7 4.7 CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
505878 118453 1 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 518 10 1 5 5.5 CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL343160 118453 1 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 518 10 1 5 5.5 CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
44356944 118484 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 509 10 1 6 4.3 CCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL343366 118484 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 509 10 1 6 4.3 CCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
44357078 118666 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 591 11 1 6 5.7 CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL344641 118666 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 591 11 1 6 5.7 CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
46225346 193639 0 None - 1 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 551 7 1 6 3.2 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL595570 193639 0 None - 1 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 551 7 1 6 3.2 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
46837554 10404 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assay
ChEMBL 516 9 1 4 5.6 COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(C(F)(F)F)cc2)CC1 10.1016/j.ejmech.2010.03.003
CHEMBL1170529 10404 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assay
ChEMBL 516 9 1 4 5.6 COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(C(F)(F)F)cc2)CC1 10.1016/j.ejmech.2010.03.003
CHEMBL3084746 102707 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assay
ChEMBL 547 7 1 5 6.8 Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc12 10.1016/j.ejmech.2010.03.003
53389085 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
CHEMBL1817911 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
CHEMBL1852138 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
CHEMBL2057814 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
53389085 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.ejmech.2012.07.049
CHEMBL1817911 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.ejmech.2012.07.049
CHEMBL1852138 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2057814 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.ejmech.2012.07.049
46226118 13840 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 531 10 1 4 6.0 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL1198032 13840 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 531 10 1 4 6.0 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL593605 13840 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 531 10 1 4 6.0 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 10.1016/j.bmcl.2009.11.018
44395365 123707 0 None - 1 Human 5.0 pIC50 = 5 Functional
Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assayInhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay
ChEMBL 386 7 2 7 1.8 CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 10.1016/j.bmcl.2004.08.021
CHEMBL363999 123707 0 None - 1 Human 5.0 pIC50 = 5 Functional
Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assayInhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay
ChEMBL 386 7 2 7 1.8 CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 10.1016/j.bmcl.2004.08.021
53389085 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
CHEMBL1817911 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
CHEMBL1852138 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
CHEMBL2057814 65920 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 438 16 0 0 9.5 CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
54752873 76599 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 424 16 0 0 9.1 CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 10.1016/j.bmcl.2012.05.127
CHEMBL2057812 76599 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 424 16 0 0 9.1 CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 10.1016/j.bmcl.2012.05.127
CHEMBL2078840 76599 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 424 16 0 0 9.1 CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 10.1016/j.bmcl.2012.05.127
54752873 76599 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 424 16 0 0 9.1 CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2057812 76599 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 424 16 0 0 9.1 CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2078840 76599 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 424 16 0 0 9.1 CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
46225343 193737 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 521 6 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL596299 193737 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 521 6 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
3008911 100287 1 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 458 4 1 4 5.4 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 10.1021/jm031046g
CHEMBL294271 100287 1 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 458 4 1 4 5.4 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 10.1021/jm031046g
3008925 100222 1 None - 1 Human 7.0 pIC50 = 7.0 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 492 5 1 3 6.5 CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 10.1021/jm031046g
CHEMBL293900 100222 1 None - 1 Human 7.0 pIC50 = 7.0 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 492 5 1 3 6.5 CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 10.1021/jm031046g
90656325 110355 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated for 15 mins prior to RANTES addition by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated for 15 mins prior to RANTES addition by spectrophotometric analysis
ChEMBL 431 7 1 6 3.8 CC(C)Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnccn1 10.1016/j.bmcl.2014.03.073
CHEMBL3263023 110355 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated for 15 mins prior to RANTES addition by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated for 15 mins prior to RANTES addition by spectrophotometric analysis
ChEMBL 431 7 1 6 3.8 CC(C)Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnccn1 10.1016/j.bmcl.2014.03.073
70690766 76594 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 288 9 0 0 5.2 CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2064266 76594 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 288 9 0 0 5.2 CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2078746 76594 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 288 9 0 0 5.2 CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 10.1016/j.ejmech.2012.07.049
57397596 68646 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 646 12 2 6 7.6 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL1926878 68646 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 646 12 2 6 7.6 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)CC1 10.1016/j.bmcl.2011.09.133
49798132 10467 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 547 9 1 4 4.4 C=CCN(C(=O)Cc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1171029 10467 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 547 9 1 4 4.4 C=CCN(C(=O)Cc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
52948296 18714 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 810 13 2 6 7.6 CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
CHEMBL1288924 18714 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 810 13 2 6 7.6 CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
44357379 27753 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 535 11 1 6 4.7 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 10.1016/s0960-894x(02)00988-5
CHEMBL137327 27753 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 535 11 1 6 4.7 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 10.1016/s0960-894x(02)00988-5
505869 27881 1 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 486 8 0 4 5.4 C=CCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL137419 27881 1 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 486 8 0 4 5.4 C=CCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
44357375 115275 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 523 11 1 6 4.7 CCCN(c1cncnc1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL335562 115275 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 523 11 1 6 4.7 CCCN(c1cncnc1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
9914742 165823 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 523 11 1 6 4.7 CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL428104 165823 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 523 11 1 6 4.7 CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 10.1016/s0960-894x(02)00988-5
3008927 192459 1 None -2 2 Human 8.0 pIC50 = 8.0 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 482 5 0 4 6.0 Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58387 192459 1 None -2 2 Human 8.0 pIC50 = 8.0 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 482 5 0 4 6.0 Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
53325460 57982 0 None -2 2 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human CCR5 receptor by chemotaxis assayAntagonist activity at human CCR5 receptor by chemotaxis assay
ChEMBL 538 6 1 6 3.6 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 10.1016/j.bmcl.2011.01.015
CHEMBL1683190 57982 0 None -2 2 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human CCR5 receptor by chemotaxis assayAntagonist activity at human CCR5 receptor by chemotaxis assay
ChEMBL 538 6 1 6 3.6 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 10.1016/j.bmcl.2011.01.015
3008934 192295 1 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 467 5 0 3 6.2 Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58101 192295 1 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonistic activity against human C-C chemokine receptor type 5.Antagonistic activity against human C-C chemokine receptor type 5.
ChEMBL 467 5 0 3 6.2 Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
49864972 15441 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingInhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
ChEMBL 640 11 2 6 3.3 C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.05.046
CHEMBL1222770 15441 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingInhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
ChEMBL 640 11 2 6 3.3 C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.05.046
CHEMBL1222773 15444 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingInhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
ChEMBL 695 11 2 6 4.3 C=CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 10.1016/j.bmcl.2010.05.046
52943424 18703 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 833 12 2 7 6.8 C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
CHEMBL1288913 18703 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 833 12 2 7 6.8 C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
73346388 92012 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 566 8 1 4 6.6 CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 10.1021/jm401101p
CHEMBL2435878 92012 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 566 8 1 4 6.6 CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 10.1021/jm401101p
118727176 116647 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 542 8 0 4 5.0 CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
CHEMBL3397987 116647 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 542 8 0 4 5.0 CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
145967391 163439 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at CCR5 (unknown origin)Antagonist activity at CCR5 (unknown origin)
ChEMBL 589 7 0 5 6.9 Cc1nc2cnccc2n1C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3ccccc3)C2)CC1 10.1021/acs.jmedchem.8b00180
CHEMBL4211358 163439 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at CCR5 (unknown origin)Antagonist activity at CCR5 (unknown origin)
ChEMBL 589 7 0 5 6.9 Cc1nc2cnccc2n1C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3ccccc3)C2)CC1 10.1021/acs.jmedchem.8b00180
CHEMBL3084729 102704 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS bindingAntagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS binding
ChEMBL 418 6 0 6 4.3 COC(=O)[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3cccnc31)C2)c1ccccc1 10.1016/j.bmcl.2010.02.023
44194496 10553 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 587 9 1 8 4.3 C=CCN(C(=O)OCc1ccc2nonc2c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172041 10553 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 587 9 1 8 4.3 C=CCN(C(=O)OCc1ccc2nonc2c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
57397595 68645 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 581 10 1 5 5.8 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL1926877 68645 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 581 10 1 5 5.8 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 10.1016/j.bmcl.2011.09.133
46225348 193768 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 515 6 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL596519 193768 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 515 6 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
3008936 192298 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 484 5 0 4 4.8 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58109 192298 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 484 5 0 4 4.8 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
57401042 68653 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 560 9 1 6 5.8 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C#N)cc2)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL1926887 68653 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 560 9 1 6 5.8 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C#N)cc2)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL4243842 164830 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assay
ChEMBL 553 8 1 6 6.7 Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)s1 10.1021/acs.jmedchem.8b01077
3008930 192282 1 None 1 2 Human 7.9 pIC50 = 7.9 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 499 5 0 5 4.6 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58004 192282 1 None 1 2 Human 7.9 pIC50 = 7.9 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 499 5 0 5 4.6 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
11527582 75851 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 664 10 1 5 5.9 CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 10.1021/jm051034q
CHEMBL205964 75851 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
ChEMBL 664 10 1 5 5.9 CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 10.1021/jm051034q
505875 25597 1 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 487 8 0 5 4.8 C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL135432 25597 1 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 487 8 0 5 4.8 C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
505873 27564 1 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 486 8 0 4 5.4 C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
CHEMBL137206 27564 1 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
ChEMBL 486 8 0 4 5.4 C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1016/s0960-894x(02)00988-5
3008913 101282 1 None -1 2 Human 7.9 pIC50 = 7.9 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 495 6 0 3 6.5 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL301454 101282 1 None -1 2 Human 7.9 pIC50 = 7.9 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 495 6 0 3 6.5 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
57395816 68658 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 535 10 1 6 5.4 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3cnc(Cl)cc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
CHEMBL1926892 68658 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 535 10 1 6 5.4 COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3cnc(Cl)cc3C)CC2)cc1 10.1016/j.bmcl.2011.09.133
72712159 92001 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 493 6 0 2 7.1 O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 10.1021/jm401101p
CHEMBL2435867 92001 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 493 6 0 2 7.1 O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 10.1021/jm401101p
73352463 91980 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 553 8 1 4 7.0 O=C(O)c1cccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)c1 10.1021/jm401101p
CHEMBL2435846 91980 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 553 8 1 4 7.0 O=C(O)c1cccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)c1 10.1021/jm401101p
491775 12602 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1021/jm060051s
CHEMBL1188807 12602 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1021/jm060051s
CHEMBL537424 12602 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1021/jm060051s
10117348 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1021/jm060051s
CHEMBL1196455 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1021/jm060051s
CHEMBL557015 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilizationAntagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1021/jm060051s
10117348 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1196455 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL557015 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1016/j.bmc.2010.05.057
10117348 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL1196455 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL557015 13648 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 455 8 1 4 4.1 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 10.1016/j.bmcl.2009.11.018
16728326 10550 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 589 9 1 7 4.5 C=CCN(C(=O)OCc1ccc2c(c1)OCO2)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172037 10550 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 589 9 1 7 4.5 C=CCN(C(=O)OCc1ccc2c(c1)OCO2)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
76317388 103890 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assayInhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assay
ChEMBL 614 11 0 4 5.8 CCN(CCc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 10.1016/j.ejmech.2013.11.013
CHEMBL3104693 103890 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assayInhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assay
ChEMBL 614 11 0 4 5.8 CCN(CCc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 10.1016/j.ejmech.2013.11.013
89702731 108684 0 None -3 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challengeAntagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
ChEMBL 1197 28 7 15 6.6 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 10.1039/c3md00080j
CHEMBL3219777 108684 0 None -3 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challengeAntagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
ChEMBL 1197 28 7 15 6.6 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 10.1039/c3md00080j
CHEMBL4748891 179295 0 None -3 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysisAntagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysis
ChEMBL 1197 28 7 15 6.6 Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 10.1016/j.bmc.2016.09.059
89702731 108684 0 None -3 2 Human 6.9 pIC50 = 6.9 Functional
Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.
ChEMBL 1197 28 7 15 6.6 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 nan
CHEMBL3219777 108684 0 None -3 2 Human 6.9 pIC50 = 6.9 Functional
Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.
ChEMBL 1197 28 7 15 6.6 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 nan
3008936 192298 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 484 5 0 4 4.8 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58109 192298 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 484 5 0 4 4.8 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
122185609 122148 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 514 6 2 2 5.7 Cc1c(CNC(=O)c2ccc3ccccc3c2)c(C)[n+]2c(c1CNC(=O)c1ccc3ccccc3c1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL3604296 122148 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 514 6 2 2 5.7 Cc1c(CNC(=O)c2ccc3ccccc3c2)c(C)[n+]2c(c1CNC(=O)c1ccc3ccccc3c1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL3606029 122148 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 514 6 2 2 5.7 Cc1c(CNC(=O)c2ccc3ccccc3c2)c(C)[n+]2c(c1CNC(=O)c1ccc3ccccc3c1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL4799343 182613 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysisAntagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysis
ChEMBL 886 25 5 11 4.9 CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1cccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)c1 10.1016/j.bmc.2016.09.059
46225344 193666 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 535 5 0 5 4.2 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL595760 193666 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 535 5 0 5 4.2 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
122185613 122156 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 578 8 2 2 7.5 Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL3604298 122156 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 578 8 2 2 7.5 Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL3606076 122156 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 578 8 2 2 7.5 Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 10.1016/j.bmcl.2015.06.029
21064283 14050 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assayAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay
ChEMBL 561 10 2 5 5.6 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmcl.2010.12.109
CHEMBL1170878 14050 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assayAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay
ChEMBL 561 10 2 5 5.6 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmcl.2010.12.109
CHEMBL1200019 14050 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assayAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay
ChEMBL 561 10 2 5 5.6 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmcl.2010.12.109
21064283 14050 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 561 10 2 5 5.6 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1170878 14050 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 561 10 2 5 5.6 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1200019 14050 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 561 10 2 5 5.6 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmc.2010.05.057
46226132 13837 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 575 11 2 5 5.7 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL1198014 13837 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 575 11 2 5 5.7 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL593205 13837 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 575 11 2 5 5.7 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL1201187 14159 0 None 2 2 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 513 8 1 5 6.0 Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 10.1016/j.bmc.2014.12.052
3008930 192282 1 None 1 2 Human 7.9 pIC50 = 7.9 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
ChEMBL 499 5 0 5 4.6 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58004 192282 1 None 1 2 Human 7.9 pIC50 = 7.9 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
ChEMBL 499 5 0 5 4.6 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
72713860 92047 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 532 8 1 5 4.9 Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435913 92047 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 532 8 1 5 4.9 Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 10.1021/jm401101p
57395818 68669 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 548 10 1 7 4.2 Cc1ccncc1CN(c1ccc([S+](C)[O-])cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL1926903 68669 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 548 10 1 7 4.2 Cc1ccncc1CN(c1ccc([S+](C)[O-])cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 10.1016/j.bmcl.2011.09.133
16728785 12555 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmcl.2006.10.084
CHEMBL1188408 12555 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmcl.2006.10.084
CHEMBL536298 12555 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmcl.2006.10.084
16728785 12555 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1188408 12555 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL536298 12555 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 477 9 1 4 5.0 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmc.2010.05.057
21064293 14046 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 547 10 1 5 5.9 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1170874 14046 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 547 10 1 5 5.9 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1200015 14046 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 547 10 1 5 5.9 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 10.1016/j.bmc.2010.05.057
46226126 13834 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 561 11 1 5 6.0 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL1198011 13834 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 561 11 1 5 6.0 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 10.1016/j.bmcl.2009.11.018
CHEMBL593177 13834 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilizationAntagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
ChEMBL 561 11 1 5 6.0 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 10.1016/j.bmcl.2009.11.018
23577409 65872 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assayAntagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
ChEMBL 563 10 3 6 4.2 CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmc.2011.05.022
CHEMBL1813439 65872 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assayAntagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
ChEMBL 563 10 3 6 4.2 CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmc.2011.05.022
CHEMBL1851891 65872 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assayAntagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
ChEMBL 563 10 3 6 4.2 CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 10.1016/j.bmc.2011.05.022
CHEMBL4761273 180350 0 None -79 2 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysisAntagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysis
ChEMBL 1197 28 7 15 6.6 Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 10.1016/j.bmc.2016.09.059
122185641 122162 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 414 6 2 2 3.4 Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL3604312 122162 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 414 6 2 2 3.4 Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2 10.1016/j.bmcl.2015.06.029
CHEMBL3606113 122162 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hrAntagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
ChEMBL 414 6 2 2 3.4 Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2 10.1016/j.bmcl.2015.06.029
46225350 194753 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 515 7 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL603325 194753 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 515 7 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
70694942 76624 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2064263 76624 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2079186 76624 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
90666578 108687 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challengeAntagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
ChEMBL 528 8 2 6 5.5 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 10.1039/c3md00080j
CHEMBL3219780 108687 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challengeAntagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
ChEMBL 528 8 2 6 5.5 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 10.1039/c3md00080j
112500049 131716 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.
ChEMBL 642 11 2 7 6.7 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 nan
CHEMBL3697626 131716 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.Flux Assay: Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.
ChEMBL 642 11 2 7 6.7 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 nan
71458737 81149 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 563 9 2 6 5.2 Cc1ccncc1CN(C(=O)Nc1cccnc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL2164216 81149 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assayAntagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
ChEMBL 563 9 2 6 5.2 Cc1ccncc1CN(C(=O)Nc1cccnc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1021/ml2002604
CHEMBL1222776 15447 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingInhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
ChEMBL 656 9 2 4 6.1 C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 10.1016/j.bmcl.2010.05.046
CHEMBL3084731 102706 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS bindingAntagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS binding
ChEMBL 511 8 1 5 5.5 Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 10.1016/j.bmcl.2010.02.023
3008913 101282 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytes
ChEMBL 495 6 0 3 6.5 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL301454 101282 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytes
ChEMBL 495 6 0 3 6.5 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3008917 196377 2 None -6 2 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
ChEMBL 481 5 0 3 6.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL62152 196377 2 None -6 2 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
ChEMBL 481 5 0 3 6.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
49798130 10603 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 559 10 1 5 4.3 C=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172438 10603 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 559 10 1 5 4.3 C=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
3008902 196274 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytes
ChEMBL 512 6 0 4 5.1 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL61536 196274 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytes
ChEMBL 512 6 0 4 5.1 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3008902 196274 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 512 6 0 4 5.1 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL61536 196274 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 512 6 0 4 5.1 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3008905 192320 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 537 6 0 5 5.0 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL58248 192320 1 None - 1 Human 6.9 pIC50 = 6.9 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 537 6 0 5 5.0 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
23577386 65827 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assayAntagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
ChEMBL 626 11 3 7 4.3 CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 10.1016/j.bmc.2011.05.022
CHEMBL1813435 65827 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assayAntagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
ChEMBL 626 11 3 7 4.3 CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 10.1016/j.bmc.2011.05.022
CHEMBL1851672 65827 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assayAntagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
ChEMBL 626 11 3 7 4.3 CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 10.1016/j.bmc.2011.05.022
52944616 18704 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 827 13 2 7 6.9 C=CCN(C(=O)NCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
CHEMBL1288914 18704 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 827 13 2 7 6.9 C=CCN(C(=O)NCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
72714077 92018 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 532 8 1 5 4.9 Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1021/jm401101p
CHEMBL2435884 92018 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 532 8 1 5 4.9 Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 10.1021/jm401101p
3008911 100287 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 458 4 1 4 5.4 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 10.1021/jm031046g
CHEMBL294271 100287 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonistic activity against monkey C-C chemokine receptor type 5.Antagonistic activity against monkey C-C chemokine receptor type 5.
ChEMBL 458 4 1 4 5.4 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 10.1021/jm031046g
49798157 10619 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 597 9 1 4 5.3 C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
CHEMBL1172622 10619 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assayAntagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
ChEMBL 597 9 1 4 5.3 C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 10.1016/j.bmcl.2010.05.102
72711281 92035 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 547 8 1 6 4.6 Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 10.1021/jm401101p
CHEMBL2435901 92035 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 547 8 1 6 4.6 Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 10.1021/jm401101p
72711048 92027 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 550 8 1 5 5.0 Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 10.1021/jm401101p
CHEMBL2435893 92027 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 550 8 1 5 5.0 Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 10.1021/jm401101p
52944586 18691 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 838 12 1 6 8.6 C=CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
CHEMBL1288873 18691 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 838 12 1 6 8.6 C=CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
46225347 193641 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 559 5 0 5 4.7 Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL595584 193641 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 559 5 0 5 4.7 Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
46225530 193266 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 550 6 0 4 4.7 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL592997 193266 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 550 6 0 4 4.7 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
118727172 116643 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 524 8 0 4 4.8 CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
CHEMBL3397983 116643 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 524 8 0 4 4.8 CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
72712373 92007 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 502 6 0 4 5.3 O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 10.1021/jm401101p
CHEMBL2435873 92007 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 502 6 0 4 5.3 O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 10.1021/jm401101p
3008917 196377 2 None -6 2 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 481 5 0 3 6.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL62152 196377 2 None -6 2 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 481 5 0 3 6.6 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3008935 196322 1 None - 1 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 468 5 0 4 5.6 Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL61828 196322 1 None - 1 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 468 5 0 4 5.6 Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
3008914 194604 1 None - 1 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 573 6 0 3 7.2 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 10.1021/jm031046g
CHEMBL60225 194604 1 None - 1 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 573 6 0 3 7.2 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 10.1021/jm031046g
CHEMBL4240763 164701 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assay
ChEMBL 537 8 1 6 6.2 Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)s1 10.1021/acs.jmedchem.8b01077
72712597 92010 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 474 6 1 3 4.8 CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 10.1021/jm401101p
CHEMBL2435876 92010 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 474 6 1 3 4.8 CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 10.1021/jm401101p
52943426 18713 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 751 13 1 6 6.1 C=CCN(C(=O)CCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
CHEMBL1288923 18713 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infectionAntagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
ChEMBL 751 13 1 6 6.1 C=CCN(C(=O)CCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC)c(F)cc3Cl)CC2)CC1 10.1016/j.bmcl.2010.10.033
16728786 13690 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
ChEMBL 493 9 2 5 4.0 CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmcl.2006.10.084
CHEMBL1196759 13690 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
ChEMBL 493 9 2 5 4.0 CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmcl.2006.10.084
CHEMBL558043 13690 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationAntagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
ChEMBL 493 9 2 5 4.0 CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 10.1016/j.bmcl.2006.10.084
76310165 103889 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assayInhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assay
ChEMBL 598 11 0 4 5.3 CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 10.1016/j.ejmech.2013.11.013
CHEMBL3104692 103889 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assayInhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assay
ChEMBL 598 11 0 4 5.3 CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 10.1016/j.ejmech.2013.11.013
56673134 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
CHEMBL1817913 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
CHEMBL1852005 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
CHEMBL2057818 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2012.05.127
56673134 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
CHEMBL1817913 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
CHEMBL1852005 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
CHEMBL2057818 65895 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometryAntagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
ChEMBL 442 18 0 0 9.3 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 10.1016/j.bmcl.2011.07.058
72714319 92023 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 566 8 1 5 5.5 Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 10.1021/jm401101p
CHEMBL2435889 92023 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 566 8 1 5 5.5 Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 10.1021/jm401101p
72711050 92029 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 590 9 1 7 4.7 COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 10.1021/jm401101p
CHEMBL2435895 92029 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 590 9 1 7 4.7 COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 10.1021/jm401101p
90666579 108688 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challengeAntagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
ChEMBL 628 9 2 7 7.3 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 10.1039/c3md00080j
CHEMBL3219781 108688 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challengeAntagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
ChEMBL 628 9 2 7 7.3 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 10.1039/c3md00080j
57397603 68672 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 604 10 1 7 5.6 Cc1ccncc1CN(c1ccc(N2CCOCC2)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1016/j.bmcl.2011.09.133
CHEMBL1927007 68672 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assayAntagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
ChEMBL 604 10 1 7 5.6 Cc1ccncc1CN(c1ccc(N2CCOCC2)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 10.1016/j.bmcl.2011.09.133
72712375 92009 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 514 6 0 3 6.5 Cc1ccccc1N1CCC(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 10.1021/jm401101p
CHEMBL2435875 92009 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysisAntagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
ChEMBL 514 6 0 3 6.5 Cc1ccccc1N1CCC(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 10.1021/jm401101p
49871007 58300 5 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 assessed as inhibition of intracellular calcium mobilizationAntagonist activity at CCR5 assessed as inhibition of intracellular calcium mobilization
ChEMBL 559 5 0 6 4.8 CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C 10.1021/ml1001536
CHEMBL1688243 58300 5 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 assessed as inhibition of intracellular calcium mobilizationAntagonist activity at CCR5 assessed as inhibition of intracellular calcium mobilization
ChEMBL 559 5 0 6 4.8 CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C 10.1021/ml1001536
3008929 189244 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 498 5 0 4 5.2 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL556314 189244 1 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
ChEMBL 498 5 0 4 5.2 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL4242034 164749 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assay
ChEMBL 457 8 1 6 5.2 Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C(C)C)s1 10.1021/acs.jmedchem.8b01077
10278617 94513 1 None 1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human CCR5 expressed in L1.2 cells assessed as MIP-1-alpha-induced Ca2+ mobilizationAntagonist activity at human CCR5 expressed in L1.2 cells assessed as MIP-1-alpha-induced Ca2+ mobilization
ChEMBL 499 5 0 5 4.6 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 10.1016/j.bmcl.2008.01.108
CHEMBL255858 94513 1 None 1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human CCR5 expressed in L1.2 cells assessed as MIP-1-alpha-induced Ca2+ mobilizationAntagonist activity at human CCR5 expressed in L1.2 cells assessed as MIP-1-alpha-induced Ca2+ mobilization
ChEMBL 499 5 0 5 4.6 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 10.1016/j.bmcl.2008.01.108
3008931 196241 1 None - 1 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
ChEMBL 559 6 0 5 7.1 Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
CHEMBL61374 196241 1 None - 1 Human 7.8 pIC50 = 7.8 Functional
Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytesMigration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
ChEMBL 559 6 0 5 7.1 Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 10.1021/jm031046g
464990 14103 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 491 8 2 4 4.5 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL1200254 14103 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 491 8 2 4 4.5 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2 10.1016/j.bmc.2010.05.057
CHEMBL3216057 14103 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationAntagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
ChEMBL 491 8 2 4 4.5 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2 10.1016/j.bmc.2010.05.057
46225343 193737 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 521 6 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL596299 193737 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant CCR5 by cell-cell fusion assayAntagonist activity at human recombinant CCR5 by cell-cell fusion assay
ChEMBL 521 6 0 5 3.8 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
118727191 116662 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 535 7 0 5 4.7 CC(=O)N1CCC(C(=O)N(CCCN2CCN(c3ccc(C#N)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
CHEMBL3398002 116662 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilizationAntagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
ChEMBL 535 7 0 5 4.7 CC(=O)N1CCC(C(=O)N(CCCN2CCN(c3ccc(C#N)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 10.1016/j.bmc.2014.12.052
62707284 76613 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 10.1016/j.bmcl.2012.05.127
CHEMBL2057807 76613 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 10.1016/j.bmcl.2012.05.127
CHEMBL2079027 76613 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM stainingAntagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 10.1016/j.bmcl.2012.05.127
62707284 76613 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2057807 76613 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2079027 76613 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 286 8 0 0 5.3 CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
70688700 76620 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 288 9 0 0 5.2 CCCCCCCCCCc1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2064264 76620 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 288 9 0 0 5.2 CCCCCCCCCCc1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
CHEMBL2079127 76620 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assayAntagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
ChEMBL 288 9 0 0 5.2 CCCCCCCCCCc1c(C)cc2[n+](c1C)CCC2 10.1016/j.ejmech.2012.07.049
46225346 193639 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 551 7 1 6 3.2 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 10.1016/j.bmcl.2009.11.072
CHEMBL595570 193639 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human CCR5Antagonist activity at human CCR5
ChEMBL 551 7 1 6 3.2 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc