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PubMed code 26096680

Compile data set for download or QSAR
Found 17 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))		BDBM50109836
PNG
(CHEMBL3604312)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccccc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccccc1
Show InChI InChI=1S/C26H27N3O2/c1-18-22(16-27-25(30)20-10-5-3-6-11-20)19(2)29-15-9-14-24(29)23(18)17-28-26(31)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3,(H-,27,28,30,31)/p+1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109837
PNG
(CHEMBL3604296)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc3ccccc3c2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C34H31N3O2/c1-22-30(20-35-33(38)28-15-13-24-8-3-5-10-26(24)18-28)23(2)37-17-7-12-32(37)31(22)21-36-34(39)29-16-14-25-9-4-6-11-27(25)19-29/h3-6,8-11,13-16,18-19H,7,12,17,20-21H2,1-2H3,(H-,35,36,38,39)/p+1
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n/an/a 1.27E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109880
PNG
(CHEMBL3604298)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C2CCCCC2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C38H47N3O2.ClH/c1-26-34(24-39-37(42)32-19-15-30(16-20-32)28-10-5-3-6-11-28)27(2)41-23-9-14-36(41)35(26)25-40-38(43)33-21-17-31(18-22-33)29-12-7-4-8-13-29;/h15-22,28-29H,3-14,23-25H2,1-2H3,(H-,39,40,42,43);1H
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n/an/a 1.29E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109842
PNG
(CHEMBL3604297)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(cc2)-c2ccccc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C38H35N3O2.ClH/c1-26-34(24-39-37(42)32-19-15-30(16-20-32)28-10-5-3-6-11-28)27(2)41-23-9-14-36(41)35(26)25-40-38(43)33-21-17-31(18-22-33)29-12-7-4-8-13-29;/h3-8,10-13,15-22H,9,14,23-25H2,1-2H3,(H-,39,40,42,43);1H
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n/an/a 1.73E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109835
PNG
(CHEMBL3604311)
Show SMILES [Cl-].Cc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(C)cc2)c1C
Show InChI InChI=1S/C28H31N3O2/c1-18-7-11-22(12-8-18)27(32)29-16-24-20(3)25(26-6-5-15-31(26)21(24)4)17-30-28(33)23-13-9-19(2)10-14-23/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33)/p+1
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n/an/a 1.87E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109892
PNG
(CHEMBL3604308)
Show SMILES [Cl-].CSc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(SC)cc2)c1C
Show InChI InChI=1S/C28H31N3O2S2.ClH/c1-18-24(16-29-27(32)20-7-11-22(34-3)12-8-20)19(2)31-15-5-6-26(31)25(18)17-30-28(33)21-9-13-23(35-4)14-10-21;/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33);1H
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n/an/a 1.93E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109834
PNG
(CHEMBL3604310)
Show SMILES [Cl-].CCc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(CC)cc2)c1C
Show InChI InChI=1S/C30H35N3O2/c1-5-22-9-13-24(14-10-22)29(34)31-18-26-20(3)27(28-8-7-17-33(28)21(26)4)19-32-30(35)25-15-11-23(6-2)12-16-25/h9-16H,5-8,17-19H2,1-4H3,(H-,31,32,34,35)/p+1
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n/an/a 2.39E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109883
PNG
(CHEMBL3604300)
Show SMILES [Cl-].CC(C)c1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(cc2)C(C)C)c1C
Show InChI InChI=1S/C32H39N3O2.ClH/c1-20(2)24-9-13-26(14-10-24)31(36)33-18-28-22(5)29(30-8-7-17-35(30)23(28)6)19-34-32(37)27-15-11-25(12-16-27)21(3)4;/h9-16,20-21H,7-8,17-19H2,1-6H3,(H-,33,34,36,37);1H
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n/an/a 2.68E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109881
PNG
(CHEMBL3604299)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C(C)(C)C)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C34H43N3O2.ClH/c1-22-28(20-35-31(38)24-11-15-26(16-12-24)33(3,4)5)23(2)37-19-9-10-30(37)29(22)21-36-32(39)25-13-17-27(18-14-25)34(6,7)8;/h11-18H,9-10,19-21H2,1-8H3,(H-,35,36,38,39);1H
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n/an/a 3.01E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109884
PNG
(CHEMBL3604301)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(Br)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C26H25Br2N3O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H-,29,30,32,33);1H
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n/an/a 3.85E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109885
PNG
(CHEMBL3604302)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(Cl)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25Cl2N3O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H-,29,30,32,33);1H
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n/an/a 4.62E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109888
PNG
(CHEMBL3604304)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(cc2)[N+]([O-])=O)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H25N5O6.ClH/c1-16-22(14-27-25(32)18-5-9-20(10-6-18)30(34)35)17(2)29-13-3-4-24(29)23(16)15-28-26(33)19-7-11-21(12-8-19)31(36)37;/h5-12H,3-4,13-15H2,1-2H3,(H-,27,28,32,33);1H
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n/an/a 6.77E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109932
PNG
(CHEMBL3604309)
Show SMILES [Cl-].COc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(OC)cc2)c1C
Show InChI InChI=1S/C28H31N3O4/c1-18-24(16-29-27(32)20-7-11-22(34-3)12-8-20)19(2)31-15-5-6-26(31)25(18)17-30-28(33)21-9-13-23(35-4)14-10-21/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33)/p+1
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n/an/a 6.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109889
PNG
(CHEMBL3604305)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(F)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H-,29,30,32,33);1H
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n/an/a 8.09E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109890
PNG
(CHEMBL3604306)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C#N)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25N5O2.ClH/c1-18-24(16-31-27(34)22-9-5-20(14-29)6-10-22)19(2)33-13-3-4-26(33)25(18)17-32-28(35)23-11-7-21(15-30)8-12-23;/h5-12H,3-4,13,16-17H2,1-2H3,(H-,31,32,34,35);1H
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n/an/a 1.01E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109887
PNG
(CHEMBL3604303)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C(F)(F)F)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F6N3O2.ClH/c1-16-22(14-35-25(38)18-5-9-20(10-6-18)27(29,30)31)17(2)37-13-3-4-24(37)23(16)15-36-26(39)19-7-11-21(12-8-19)28(32,33)34;/h5-12H,3-4,13-15H2,1-2H3,(H-,35,36,38,39);1H
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n/an/a 1.22E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50109891
PNG
(CHEMBL3604307)
Show SMILES [Cl-].Cc1c(CNC(=O)c2ccc(N)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C26H29N5O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H5-,27,28,29,30,32,33);1H
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n/an/a 1.74E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr

Bioorg Med Chem Lett 25: 3721-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.029
BindingDB Entry DOI: 10.7270/Q2GH9KRF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%