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PubMed code 22033460

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359481
PNG
(CHEMBL1926899)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C |r|
Show InChI InChI=1S/C35H48N6O3/c1-23(2)38-34(42)32-20-25(4)33(27(6)39-32)35(43)37-17-13-26(5)40-18-14-30(15-19-40)41(22-28-21-36-16-12-24(28)3)29-8-10-31(44-7)11-9-29/h8-12,16,20-21,23,26,30H,13-15,17-19,22H2,1-7H3,(H,37,43)(H,38,42)/t26-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359487
PNG
(CHEMBL1926893)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C31H40ClN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359478
PNG
(CHEMBL1927009)
Show SMILES COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C31H37ClN6O2/c1-21-18-29(32)35-23(3)30(21)31(39)34-15-12-22(2)37-16-13-27(14-17-37)38(26-8-10-28(40-4)11-9-26)20-25-7-5-6-24(19-33)36-25/h5-11,18,22,27H,12-17,20H2,1-4H3,(H,34,39)/t22-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359485
PNG
(CHEMBL1926896)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C |r|
Show InChI InChI=1S/C31H40FN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359459
PNG
(CHEMBL1927008)
Show SMILES COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N |r|
Show InChI InChI=1S/C32H37N7O2/c1-22-18-27(20-34)36-24(3)31(22)32(40)35-15-12-23(2)38-16-13-29(14-17-38)39(28-8-10-30(41-4)11-9-28)21-26-7-5-6-25(19-33)37-26/h5-11,18,23,29H,12-17,21H2,1-4H3,(H,35,40)/t23-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359482
PNG
(CHEMBL1926898)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N |r|
Show InChI InChI=1S/C32H40N6O2/c1-22-10-14-34-20-26(22)21-38(28-6-8-30(40-5)9-7-28)29-12-16-37(17-13-29)24(3)11-15-35-32(39)31-23(2)18-27(19-33)36-25(31)4/h6-10,14,18,20,24,29H,11-13,15-17,21H2,1-5H3,(H,35,39)/t24-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359480
PNG
(CHEMBL1926900)
Show SMILES COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C33H44ClN5O3/c1-23-10-14-35-21-27(23)22-39(28-6-8-30(9-7-28)42-19-18-41-5)29-12-16-38(17-13-29)25(3)11-15-36-33(40)32-24(2)20-31(34)37-26(32)4/h6-10,14,20-21,25,29H,11-13,15-19,22H2,1-5H3,(H,36,40)/t25-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359479
PNG
(CHEMBL1927010)
Show SMILES COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C |r|
Show InChI InChI=1S/C31H37FN6O2/c1-21-18-29(32)35-23(3)30(21)31(39)34-15-12-22(2)37-16-13-27(14-17-37)38(26-8-10-28(40-4)11-9-26)20-25-7-5-6-24(19-33)36-25/h5-11,18,22,27H,12-17,20H2,1-4H3,(H,34,39)/t22-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359489
PNG
(CHEMBL1926891)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ccnc1Cl |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-21-9-14-32-19-24(21)20-36(25-5-7-27(38-4)8-6-25)26-12-17-35(18-13-26)23(3)11-16-34-30(37)28-22(2)10-15-33-29(28)31/h5-10,14-15,19,23,26H,11-13,16-18,20H2,1-4H3,(H,34,37)/t23-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359464
PNG
(CHEMBL1926901)
Show SMILES COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N |r|
Show InChI InChI=1S/C34H44N6O3/c1-24-10-14-36-22-28(24)23-40(30-6-8-32(9-7-30)43-19-18-42-5)31-12-16-39(17-13-31)26(3)11-15-37-34(41)33-25(2)20-29(21-35)38-27(33)4/h6-10,14,20,22,26,31H,11-13,15-19,23H2,1-5H3,(H,37,41)/t26-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359461
PNG
(CHEMBL1926904)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(OCC(N)=O)cc1 |r|
Show InChI InChI=1S/C33H41N7O3/c1-22-9-13-36-19-26(22)20-40(28-5-7-30(8-6-28)43-21-31(35)41)29-11-15-39(16-12-29)24(3)10-14-37-33(42)32-23(2)17-27(18-34)38-25(32)4/h5-9,13,17,19,24,29H,10-12,14-16,20-21H2,1-4H3,(H2,35,41)(H,37,42)/t24-/m1/s1
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n/an/a 0.980n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359463
PNG
(CHEMBL1926902)
Show SMILES COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C |r|
Show InChI InChI=1S/C33H44FN5O3/c1-23-10-14-35-21-27(23)22-39(28-6-8-30(9-7-28)42-19-18-41-5)29-12-16-38(17-13-29)25(3)11-15-36-33(40)32-24(2)20-31(34)37-26(32)4/h6-10,14,20-21,25,29H,11-13,15-19,22H2,1-5H3,(H,36,40)/t25-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359486
PNG
(CHEMBL1926894)
Show SMILES COc1ccc(cc1)N(Cc1cccnc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-21-18-28(31)34-23(3)29(21)30(37)33-15-11-22(2)35-16-12-26(13-17-35)36(20-24-6-5-14-32-19-24)25-7-9-27(38-4)10-8-25/h5-10,14,18-19,22,26H,11-13,15-17,20H2,1-4H3,(H,33,37)/t22-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359483
PNG
(CHEMBL1926897)
Show SMILES COc1ccc(cc1)N(Cc1cccnc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C |r|
Show InChI InChI=1S/C30H38FN5O2/c1-21-18-28(31)34-23(3)29(21)30(37)33-15-11-22(2)35-16-12-26(13-17-35)36(20-24-6-5-14-32-19-24)25-7-9-27(38-4)10-8-25/h5-10,14,18-19,22,26H,11-13,15-17,20H2,1-4H3,(H,33,37)/t22-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359466
PNG
(CHEMBL1926885)
Show SMILES COc1ccc(cc1)N(Cc1cccc(c1)C#N)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C30H33Cl2N5O2/c1-21(10-13-35-30(38)29-27(31)18-34-19-28(29)32)36-14-11-25(12-15-36)37(24-6-8-26(39-2)9-7-24)20-23-5-3-4-22(16-23)17-33/h3-9,16,18-19,21,25H,10-15,20H2,1-2H3,(H,35,38)
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n/an/a 2n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359490
PNG
(CHEMBL1926890)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ccnc1C |r|
Show InChI InChI=1S/C31H41N5O2/c1-22-10-15-32-20-26(22)21-36(27-6-8-29(38-5)9-7-27)28-13-18-35(19-14-28)24(3)12-17-34-31(37)30-23(2)11-16-33-25(30)4/h6-11,15-16,20,24,28H,12-14,17-19,21H2,1-5H3,(H,34,37)/t24-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359465
PNG
(CHEMBL1926886)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H30Cl2F3N5O2/c1-20(9-12-38-29(41)28-26(31)17-37-18-27(28)32)39-13-10-24(11-14-39)40(19-22-4-2-3-21(15-22)16-36)23-5-7-25(8-6-23)42-30(33,34)35/h2-8,15,17-18,20,24H,9-14,19H2,1H3,(H,38,41)
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n/an/a 3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359467
PNG
(CHEMBL1926884)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H30Cl2F3N5O/c1-20(9-12-38-29(41)28-26(31)17-37-18-27(28)32)39-13-10-25(11-14-39)40(19-22-4-2-3-21(15-22)16-36)24-7-5-23(6-8-24)30(33,34)35/h2-8,15,17-18,20,25H,9-14,19H2,1H3,(H,38,41)
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n/an/a 3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359491
PNG
(CHEMBL1926889)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cncc1C |r|
Show InChI InChI=1S/C31H41N5O2/c1-22-10-14-32-20-26(22)21-36(27-6-8-29(38-5)9-7-27)28-12-16-35(17-13-28)25(4)11-15-34-31(37)30-23(2)18-33-19-24(30)3/h6-10,14,18-20,25,28H,11-13,15-17,21H2,1-5H3,(H,34,37)/t25-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359460
PNG
(CHEMBL1926905)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1cnccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C31H38N6O/c1-22-10-14-33-20-26(22)21-37(28-8-6-5-7-9-28)29-12-16-36(17-13-29)24(3)11-15-34-31(38)30-23(2)18-27(19-32)35-25(30)4/h5-10,14,18,20,24,29H,11-13,15-17,21H2,1-4H3,(H,34,38)/t24-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359468
PNG
(CHEMBL1926883)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C29H30BrCl2N5O/c1-20(9-12-35-29(38)28-26(31)17-34-18-27(28)32)36-13-10-25(11-14-36)37(24-7-5-23(30)6-8-24)19-22-4-2-3-21(15-22)16-33/h2-8,15,17-18,20,25H,9-14,19H2,1H3,(H,35,38)
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n/an/a 8n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359492
PNG
(CHEMBL1926888)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C |r|
Show InChI InChI=1S/C30H40N6O2/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(38-5)9-7-26)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-/m1/s1
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n/an/a 10.9n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359471
PNG
(CHEMBL1926878)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C35H36Cl2N4O4/c1-24(15-18-39-34(42)33-31(36)21-38-22-32(33)37)40-19-16-28(17-20-40)41(23-25-5-3-2-4-6-25)27-9-13-30(14-10-27)45-29-11-7-26(8-12-29)35(43)44/h2-14,21-22,24,28H,15-20,23H2,1H3,(H,39,42)(H,43,44)
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n/an/a 11n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359493
PNG
(CHEMBL1926887)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H30Cl2N6O/c1-21(9-12-36-30(39)29-27(31)18-35-19-28(29)32)37-13-10-26(11-14-37)38(25-7-5-22(16-33)6-8-25)20-24-4-2-3-23(15-24)17-34/h2-8,15,18-19,21,26H,9-14,20H2,1H3,(H,36,39)
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n/an/a 12n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359488
PNG
(CHEMBL1926892)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1cnc(Cl)cc1C |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-21-9-13-32-18-24(21)20-36(25-5-7-27(38-4)8-6-25)26-11-15-35(16-12-26)23(3)10-14-33-30(37)28-19-34-29(31)17-22(28)2/h5-9,13,17-19,23,26H,10-12,14-16,20H2,1-4H3,(H,33,37)/t23-/m1/s1
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n/an/a 12.3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359474
PNG
(CHEMBL1926875)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H31Cl2N5O/c1-21(11-14-34-29(37)28-26(30)18-33-19-27(28)31)35-15-12-25(13-16-35)36(20-23-5-3-2-4-6-23)24-9-7-22(17-32)8-10-24/h2-10,18-19,21,25H,11-16,20H2,1H3,(H,34,37)
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n/an/a 19n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359475
PNG
(CHEMBL1926874)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H31Cl2F3N4O2/c1-20(11-14-36-28(39)27-25(30)17-35-18-26(27)31)37-15-12-23(13-16-37)38(19-21-5-3-2-4-6-21)22-7-9-24(10-8-22)40-29(32,33)34/h2-10,17-18,20,23H,11-16,19H2,1H3,(H,36,39)
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n/an/a 26n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359470
PNG
(CHEMBL1926880)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(Cl)c1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H30BrCl3N4O/c1-19(9-12-34-28(37)27-25(31)16-33-17-26(27)32)35-13-10-24(11-14-35)36(23-7-5-21(29)6-8-23)18-20-3-2-4-22(30)15-20/h2-8,15-17,19,24H,9-14,18H2,1H3,(H,34,37)
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n/an/a 30n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359477
PNG
(CHEMBL1926872)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H31Cl2F3N4O/c1-20(11-14-36-28(39)27-25(30)17-35-18-26(27)31)37-15-12-24(13-16-37)38(19-21-5-3-2-4-6-21)23-9-7-22(8-10-23)29(32,33)34/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,36,39)
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n/an/a 34n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359484
PNG
(CHEMBL1926895)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C31H40ClN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50339967
PNG
(CHEMBL1762313 | N-(3-(4-(benzyl(4-bromophenyl)amin...)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36)
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n/an/a 49n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359476
PNG
(CHEMBL1926873)
Show SMILES COc1ccc(cc1)N(Cc1ccccc1)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C29H34Cl2N4O2/c1-21(12-15-33-29(36)28-26(30)18-32-19-27(28)31)34-16-13-24(14-17-34)35(20-22-6-4-3-5-7-22)23-8-10-25(37-2)11-9-23/h3-11,18-19,21,24H,12-17,20H2,1-2H3,(H,33,36)
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n/an/a 50n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359473
PNG
(CHEMBL1926876)
Show SMILES COC(=O)c1ccc(cc1)N(Cc1ccccc1)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C30H34Cl2N4O3/c1-21(12-15-34-29(37)28-26(31)18-33-19-27(28)32)35-16-13-25(14-17-35)36(20-22-6-4-3-5-7-22)24-10-8-23(9-11-24)30(38)39-2/h3-11,18-19,21,25H,12-17,20H2,1-2H3,(H,34,37)
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n/an/a 90n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359472
PNG
(CHEMBL1926877)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C31H37Cl2N5O2/c1-22(13-16-35-30(39)29-27(32)19-34-20-28(29)33)37-17-14-26(15-18-37)38(21-23-7-5-4-6-8-23)25-11-9-24(10-12-25)31(40)36(2)3/h4-12,19-20,22,26H,13-18,21H2,1-3H3,(H,35,39)
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n/an/a 116n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359462
PNG
(CHEMBL1926903)
Show SMILES C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)S(C)=O |r|
Show InChI InChI=1S/C30H40N6O2S/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(9-7-26)39(5)38)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-,39?/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50359487
PNG
(CHEMBL1926893)
Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Show InChI InChI=1S/C31H40ClN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359469
PNG
(CHEMBL1926882)
Show SMILES COc1cccc(CN(C2CCN(CC2)C(C)CCNC(=O)c2c(Cl)cncc2Cl)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C29H33BrCl2N4O2/c1-20(10-13-34-29(37)28-26(31)17-33-18-27(28)32)35-14-11-24(12-15-35)36(23-8-6-22(30)7-9-23)19-21-4-3-5-25(16-21)38-2/h3-9,16-18,20,24H,10-15,19H2,1-2H3,(H,34,37)
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n/an/a 387n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50359458
PNG
(CHEMBL1927007)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C34H45ClN6O2/c1-24-9-13-36-22-28(24)23-41(30-7-5-29(6-8-30)40-17-19-43-20-18-40)31-11-15-39(16-12-31)26(3)10-14-37-34(42)33-25(2)21-32(35)38-27(33)4/h5-9,13,21-22,26,31H,10-12,14-20,23H2,1-4H3,(H,37,42)/t26-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%