Ligand source activities (1 row/activity)





Ligands Receptor Assay information Chemical information
Sel. page Common
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 206596 107 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 206596 107 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 83355 11 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 83355 11 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 83062 2 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 83062 2 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 4287 115 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 4287 115 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 4287 115 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 4287 115 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 83008 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 83008 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 106704 78 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 106704 78 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 84466 19 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 84466 19 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 83362 4 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 83362 4 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 153853 133 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 153853 133 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 83362 4 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 83362 4 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 83364 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 83364 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 106704 78 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 106704 78 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 83361 90 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 83361 90 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 153853 133 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 153853 133 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 83009 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 83009 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 83364 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 83364 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 83361 90 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 83361 90 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 83360 93 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 83360 93 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 158727 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 158727 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 83360 93 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 83360 93 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 198031 76 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 198031 76 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 198031 76 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 198031 76 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 204935 105 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 204935 105 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 83011 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 83011 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 204935 105 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 204935 105 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 1058 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 1058 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 1058 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
12425 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
1318 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
CHEMBL415879 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
DB02365 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
10585 1058 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 1058 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 1058 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 173501 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 173501 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 173501 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 173501 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
12425 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
1318 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
CHEMBL415879 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
DB02365 6 116 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 10.1021/jm301121j
155491018 173501 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 173501 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 173501 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 173501 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 137086 97 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 137086 97 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 137086 97 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 137086 97 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 3673 8 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 3673 8 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 3673 8 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 1058 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 1058 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 1058 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 1058 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 1058 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 1058 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 1058 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 1058 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 1058 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 173501 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 173501 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 1058 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 1058 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 1058 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 173501 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 173501 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
11151928 188887 0 None -10 4 Human 9.1 pED50 = 9.1 Functional
Antagonist activity at CCR5 in human THP1 cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs by microtiter format trans-well migration assayAntagonist activity at CCR5 in human THP1 cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs by microtiter format trans-well migration assay
ChEMBL 338 11 2 2 4.3 CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O 10.1021/jm900133w
CHEMBL513863 188887 0 None -10 4 Human 9.1 pED50 = 9.1 Functional
Antagonist activity at CCR5 in human THP1 cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs by microtiter format trans-well migration assayAntagonist activity at CCR5 in human THP1 cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs by microtiter format trans-well migration assay
ChEMBL 338 11 2 2 4.3 CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O 10.1021/jm900133w
15941255 81347 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 81347 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 68866 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 68866 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
50993591 56898 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
CHEMBL1649924 56898 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 81342 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 81342 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 81350 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 81350 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 864 30 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
801 864 30 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 864 30 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 864 30 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 81357 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 81357 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 103054 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 103054 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 68860 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 68860 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
3002977 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
803 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
806 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
CHEMBL1201187 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
CHEMBL256907 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
CHEMBL584744 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
DB04835 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/jm100978n
50993593 56900 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
CHEMBL1649926 56900 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
50992494 56901 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
CHEMBL1649927 56901 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
3002977 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
803 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
806 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
CHEMBL1201187 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
CHEMBL256907 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
CHEMBL584744 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
DB04835 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2016.12.035
11285792 864 30 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
801 864 30 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 864 30 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 864 30 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 103055 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 103055 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 103053 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 103053 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 68863 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 68863 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 68865 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 68865 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 68874 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 68874 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 68875 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 68875 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
50992641 56897 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
CHEMBL1649922 56897 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 81343 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 81343 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 81345 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 81345 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 81346 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 81346 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 81351 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 81351 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 18840 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 18840 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
44455217 94962 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
CHEMBL257000 94962 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
50992577 56893 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
CHEMBL1649919 56893 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
50992639 56895 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
CHEMBL1649920 56895 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
50992640 56896 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
CHEMBL1649921 56896 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 81348 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 81348 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 81349 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 81349 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 81359 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 81359 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 81360 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 81360 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 3669 33 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 3669 33 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 3669 33 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 103057 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 103057 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
53325983 56887 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
CHEMBL1649913 56887 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 81352 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 81352 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 100243 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 100243 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 68867 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 68867 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
50993592 56899 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
CHEMBL1649925 56899 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 198273 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 198273 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 544 1 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 544 1 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 544 1 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 68858 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 68858 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 68876 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 68876 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 81355 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 81355 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 201087 4 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 201087 4 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
3002977 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
803 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
806 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
CHEMBL1201187 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
CHEMBL256907 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
CHEMBL584744 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
DB04835 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00408
44511871 68868 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 68868 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 92209 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 92209 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 92254 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 92254 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 81341 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 81341 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 197411 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 197411 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 76726 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 76726 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
3002977 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
803 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
806 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
CHEMBL1201187 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
CHEMBL256907 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
CHEMBL584744 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
DB04835 2416 70 None 2 2 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL 513 8 1 5 6.0 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1021/acs.jmedchem.1c00781
72711739 92252 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 92252 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 81358 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 81358 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 103056 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 103056 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 68871 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 68871 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 197981 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 197981 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 200961 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 200961 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 75403 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 75403 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 10704 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 10704 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 10709 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 10709 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 58485 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 58485 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
11597 666 3 None -11 2 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
ChEMBL 506 5 3 6 3.5 CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C 10.1021/acsmedchemlett.1c00373
23725180 666 3 None -11 2 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
ChEMBL 506 5 3 6 3.5 CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C 10.1021/acsmedchemlett.1c00373
CHEMBL4781426 666 3 None -11 2 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
ChEMBL 506 5 3 6 3.5 CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C 10.1021/acsmedchemlett.1c00373
51039119 175633 29 None 1 3 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
ChEMBL 484 5 3 8 2.2 CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O 10.1021/acsmedchemlett.1c00373
CHEMBL4594419 175633 29 None 1 3 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxisAntagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
ChEMBL 484 5 3 8 2.2 CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O 10.1021/acsmedchemlett.1c00373
3008927 197170 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 197170 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 197411 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 197411 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 92207 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 92207 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 3914 21 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 3914 21 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 3914 21 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 3914 21 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 58487 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 58487 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 81353 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 81353 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 3673 8 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 3673 8 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 3673 8 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 68869 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 68869 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 92205 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 92205 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 15592 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 15592 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
49768863 56886 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
CHEMBL1649912 56886 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 101493 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 101493 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 3673 8 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 3673 8 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 3673 8 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 3673 8 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 3673 8 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 3673 8 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 76748 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 76748 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 103053 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 103053 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
CHEMBL5084989 213158 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assayAntagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
ChEMBL None None None CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 10.1021/acs.jmedchem.1c00781
57395817 68861 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 68861 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 92230 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 92230 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 92231 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 92231 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 58490 9 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 58490 9 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 10771 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 10771 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 68864 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 68864 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 10711 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 10711 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 10712 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 10712 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 18840 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 18840 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 10706 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 10706 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 92204 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 92204 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 168211 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 168211 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 197964 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 197964 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 198273 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 198273 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 116868 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 116868 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 68855 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 68855 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 68855 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 68855 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 200971 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 200971 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 27556 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 27556 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 98027 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 98027 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 118670 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 118670 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 118701 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 118701 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 118883 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 118883 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 198349 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 198349 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 10553 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 10553 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
46837425 102918 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
CHEMBL3084746 102918 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 66118 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 66118 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 66118 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 66118 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 66118 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 66118 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 66118 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 66118 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 13992 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 13992 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 13992 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 123941 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 123941 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 66118 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 66118 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 66118 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 66118 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 76807 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 76807 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 76807 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 76807 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 76807 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 76807 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 198447 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 198447 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 100499 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 100499 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 100434 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 100434 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 110565 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 110565 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 76802 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 76802 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 76802 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 68847 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 68847 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 10616 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 10616 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 18870 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 18870 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 27912 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 27912 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 28040 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 28040 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 115490 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 115490 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 166071 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 166071 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 197170 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 197170 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 58171 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 58171 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 197006 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 197006 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 15593 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 15593 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
49864975 15596 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
CHEMBL1222773 15596 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 18859 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 18859 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 92223 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 92223 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 116864 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 116864 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
168279183 190307 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 intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assay
ChEMBL 541 9 1 8 5.2 COC(=O)C1CCC(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)CC1 10.1021/acs.jmedchem.2c01383
CHEMBL5185201 190307 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 intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assay
ChEMBL 541 9 1 8 5.2 COC(=O)C1CCC(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)CC1 10.1021/acs.jmedchem.2c01383
145967391 163686 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 163686 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
76327885 102915 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
CHEMBL3084729 102915 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 10702 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 10702 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 68846 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 68846 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 198478 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 198478 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 197009 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 197009 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 68854 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 68854 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
126567277 165078 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
CHEMBL4243842 165078 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 196993 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 196993 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 76060 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 76060 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 25755 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 25755 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 27723 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 27723 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 101493 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 101493 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 68859 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 68859 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 92212 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 92212 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 92191 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 92191 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 12753 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 12753 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 12753 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 13799 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 13799 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 13799 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 13799 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 13799 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 13799 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 13799 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 13799 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 13799 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 10699 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 10699 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 104100 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 104100 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
CHEMBL5071060 212470 0 None -3 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL None None None Cc1nnc(C(C)C)n1C1C[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 10.1021/acs.jmedchem.1c00408
89702731 108895 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 108895 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
162650661 179559 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
CHEMBL4748891 179559 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 108895 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 108895 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
CHEMBL5074037 212528 0 None -1 2 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assayAntagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
ChEMBL None None None CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 10.1021/acs.jmedchem.1c00408
3008936 197009 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 197009 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 122380 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 122380 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 122380 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
162677279 182886 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
CHEMBL4799343 182886 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 198376 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 198376 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 122388 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 122388 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 122388 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 14202 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 14202 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 14202 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 14202 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 14202 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 14202 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 13989 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 13989 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 13989 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
3002977 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
803 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
806 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
CHEMBL1201187 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
CHEMBL256907 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
CHEMBL584744 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
DB04835 2416 70 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 O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C 10.1016/j.bmc.2014.12.052
3008930 196993 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 196993 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 92258 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 92258 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 68870 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 68870 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 12706 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 12706 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 12706 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 12706 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 12706 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 12706 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 14198 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 14198 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 14198 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 13986 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 13986 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 13986 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 66070 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 66070 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 66070 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
162660215 180620 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
CHEMBL4761273 180620 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 122394 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 122394 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 122394 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 199463 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 199463 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 76832 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 76832 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 76832 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
168283795 190289 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assay
ChEMBL 586 10 2 9 4.2 COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1 10.1021/acs.jmedchem.2c01383
CHEMBL5184978 190289 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assayAntagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assay
ChEMBL 586 10 2 9 4.2 COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1 10.1021/acs.jmedchem.2c01383
90666578 108898 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 108898 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 131951 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 131951 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 81356 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 81356 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
49864974 15599 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
CHEMBL1222776 15599 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
76316949 102917 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
CHEMBL3084731 102917 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 101493 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 101493 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 201087 4 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 201087 4 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 10752 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 10752 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 200984 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 200984 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 200984 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 200984 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 197031 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 197031 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 66025 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 66025 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 66025 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 18860 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 18860 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 92229 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 92229 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 100499 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 100499 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 10768 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 10768 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 92246 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
CH