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PubMed code 22047688

Compile data set for download or QSAR
Found 51 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 2


(Homo sapiens (Human))		BDBM50359016
PNG
(CHEMBL1924017)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C26H24Cl2F3N3O4S/c27-18-5-10-24(23(15-18)33-39(36,37)20-8-9-22(28)21(16-20)26(29,30)31)38-19-6-3-17(4-7-19)25(35)32-11-14-34-12-1-2-13-34/h3-10,15-16,33H,1-2,11-14H2,(H,32,35)
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 2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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 3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359018
PNG
(CHEMBL1924019)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-24-16-25(40-18-6-4-17(5-7-18)26(36)33-10-13-35-11-2-3-12-35)23(15-22(24)29)34-41(37,38)19-8-9-21(28)20(14-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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 4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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 6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359017
PNG
(CHEMBL1924018)
Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-25(39-19-6-4-18(5-7-19)26(36)33-10-13-35-11-2-3-12-35)24(16-23(17)29)34-40(37,38)20-8-9-22(28)21(15-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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 8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359022
PNG
(CHEMBL1924023)
Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-18(26(36)33-10-13-35-11-2-3-12-35)4-8-24(17)39-25-9-5-19(28)15-23(25)34-40(37,38)20-6-7-22(29)21(16-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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 8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359012
PNG
(CHEMBL1924013)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c28-19-6-11-25(24(16-19)34-40(37,38)21-9-10-23(29)22(17-21)27(30,31)32)39-20-7-4-18(5-8-20)26(36)33-12-15-35-13-2-1-3-14-35/h4-11,16-17,34H,1-3,12-15H2,(H,33,36)
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 10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359023
PNG
(CHEMBL1170725)
Show SMILES Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl3N3O3S/c1-10-16(3-2-6-21-10)26-17-15(7-11(18)9-22-17)23-27(24,25)12-4-5-13(19)14(20)8-12/h2-9,23H,1H3
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 10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359015
PNG
(CHEMBL1924016)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-25-17-26(41-19-7-5-18(6-8-19)27(37)34-11-14-36-12-3-2-4-13-36)24(16-23(25)30)35-42(38,39)20-9-10-22(29)21(15-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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 10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359025
PNG
(CHEMBL1924005)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-17-13-22(30-36(33,34)19-7-8-20(26)21(27)14-19)24(29-15-17)35-18-5-3-16(4-6-18)23(32)28-9-12-31-10-1-2-11-31/h3-8,13-15,30H,1-2,9-12H2,(H,28,32)
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 13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359024
PNG
(CHEMBL1924004)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-8-9-21(27)22(28)15-20)25(30-16-18)36-19-6-4-17(5-7-19)24(33)29-10-13-32-11-2-1-3-12-32/h4-9,14-16,31H,1-3,10-13H2,(H,29,33)
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 13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359014
PNG
(CHEMBL1924015)
Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-26(40-20-7-5-19(6-8-20)27(37)34-11-14-36-12-3-2-4-13-36)25(17-24(18)30)35-41(38,39)21-9-10-23(29)22(16-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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 16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359024
PNG
(CHEMBL1924004)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-8-9-21(27)22(28)15-20)25(30-16-18)36-19-6-4-17(5-7-19)24(33)29-10-13-32-11-2-1-3-12-32/h4-9,14-16,31H,1-3,10-13H2,(H,29,33)
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 20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359020
PNG
(CHEMBL1924021)
Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-19(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(18)40-26-10-6-20(29)16-24(26)35-41(38,39)21-7-8-23(30)22(17-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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 25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359021
PNG
(CHEMBL1924022)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-26-15-18(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(26)41-24-10-6-19(29)16-23(24)35-42(38,39)20-7-8-22(30)21(17-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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 25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359026
PNG
(CHEMBL1924006)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H24Cl3N5O4S/c25-17-13-22(31-37(34,35)19-5-6-20(26)21(27)14-19)24(30-15-17)36-18-3-1-16(2-4-18)23(33)29-9-12-32-10-7-28-8-11-32/h1-6,13-15,28,31H,7-12H2,(H,29,33)
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 40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359033
PNG
(CHEMBL1924012)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl3N3O4S/c27-19-6-11-25(24(16-19)31-37(34,35)21-9-10-22(28)23(29)17-21)36-20-7-4-18(5-8-20)26(33)30-12-15-32-13-2-1-3-14-32/h4-11,16-17,31H,1-3,12-15H2,(H,30,33)
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 63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359019
PNG
(CHEMBL1924020)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCC(F)(F)C1
Show InChI InChI=1S/C26H22Cl2F5N3O4S/c27-17-3-8-23(22(13-17)35-41(38,39)19-6-7-21(28)20(14-19)26(31,32)33)40-18-4-1-16(2-5-18)24(37)34-10-12-36-11-9-25(29,30)15-36/h1-8,13-14,35H,9-12,15H2,(H,34,37)
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 63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359025
PNG
(CHEMBL1924005)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-17-13-22(30-36(33,34)19-7-8-20(26)21(27)14-19)24(29-15-17)35-18-5-3-16(4-6-18)23(32)28-9-12-31-10-1-2-11-31/h3-8,13-15,30H,1-2,9-12H2,(H,28,32)
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 63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359027
PNG
(CHEMBL1924007)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-7-8-21(27)22(28)15-20)25(30-16-18)36-19-6-4-5-17(13-19)24(33)29-9-12-32-10-2-1-3-11-32/h4-8,13-16,31H,1-3,9-12H2,(H,29,33)
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 79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359028
PNG
(CHEMBL1924008)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-17-13-22(30-36(33,34)19-6-7-20(26)21(27)14-19)24(29-15-17)35-18-5-3-4-16(12-18)23(32)28-8-11-31-9-1-2-10-31/h3-7,12-15,30H,1-2,8-11H2,(H,28,32)
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 100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359029
PNG
(CHEMBL1924009)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H24Cl3N5O4S/c25-17-13-22(31-37(34,35)19-4-5-20(26)21(27)14-19)24(30-15-17)36-18-3-1-2-16(12-18)23(33)29-8-11-32-9-6-28-7-10-32/h1-5,12-15,28,31H,6-11H2,(H,29,33)
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 200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359026
PNG
(CHEMBL1924006)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H24Cl3N5O4S/c25-17-13-22(31-37(34,35)19-5-6-20(26)21(27)14-19)24(30-15-17)36-18-3-1-16(2-4-18)23(33)29-9-12-32-10-7-28-8-11-32/h1-6,13-15,28,31H,7-12H2,(H,29,33)
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 251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359031
PNG
(CHEMBL1924011)
Show SMILES Clc1cnc(Oc2ccccc2C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-16-13-21(30-36(33,34)17-7-8-19(26)20(27)14-17)24(29-15-16)35-22-6-2-1-5-18(22)23(32)28-9-12-31-10-3-4-11-31/h1-2,5-8,13-15,30H,3-4,9-12H2,(H,28,32)
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 631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359030
PNG
(CHEMBL1924010)
Show SMILES Clc1cnc(Oc2ccccc2C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-17-14-22(31-37(34,35)18-8-9-20(27)21(28)15-18)25(30-16-17)36-23-7-3-2-6-19(23)24(33)29-10-13-32-11-4-1-5-12-32/h2-3,6-9,14-16,31H,1,4-5,10-13H2,(H,29,33)
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 794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359028
PNG
(CHEMBL1924008)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-17-13-22(30-36(33,34)19-6-7-20(26)21(27)14-19)24(29-15-17)35-18-5-3-4-16(12-18)23(32)28-8-11-31-9-1-2-10-31/h3-7,12-15,30H,1-2,8-11H2,(H,28,32)
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 1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359023
PNG
(CHEMBL1170725)
Show SMILES Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl3N3O3S/c1-10-16(3-2-6-21-10)26-17-15(7-11(18)9-22-17)23-27(24,25)12-4-5-13(19)14(20)8-12/h2-9,23H,1H3
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 1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359027
PNG
(CHEMBL1924007)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-7-8-21(27)22(28)15-20)25(30-16-18)36-19-6-4-5-17(13-19)24(33)29-9-12-32-10-2-1-3-11-32/h4-8,13-16,31H,1-3,9-12H2,(H,29,33)
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 1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359030
PNG
(CHEMBL1924010)
Show SMILES Clc1cnc(Oc2ccccc2C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-17-14-22(31-37(34,35)18-8-9-20(27)21(28)15-18)25(30-16-17)36-23-7-3-2-6-19(23)24(33)29-10-13-32-11-4-1-5-12-32/h2-3,6-9,14-16,31H,1,4-5,10-13H2,(H,29,33)
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 1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359029
PNG
(CHEMBL1924009)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H24Cl3N5O4S/c25-17-13-22(31-37(34,35)19-4-5-20(26)21(27)14-19)24(30-15-17)36-18-3-1-2-16(12-18)23(33)29-8-11-32-9-6-28-7-10-32/h1-5,12-15,28,31H,6-11H2,(H,29,33)
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 2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359031
PNG
(CHEMBL1924011)
Show SMILES Clc1cnc(Oc2ccccc2C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-16-13-21(30-36(33,34)17-7-8-19(26)20(27)14-17)24(29-15-16)35-22-6-2-1-5-18(22)23(32)28-9-12-31-10-3-4-11-31/h1-2,5-8,13-15,30H,3-4,9-12H2,(H,28,32)
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 2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359033
PNG
(CHEMBL1924012)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl3N3O4S/c27-19-6-11-25(24(16-19)31-37(34,35)21-9-10-22(28)23(29)17-21)36-20-7-4-18(5-8-20)26(33)30-12-15-32-13-2-1-3-14-32/h4-11,16-17,31H,1-3,12-15H2,(H,30,33)
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n/an/an/a 3.16E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359021
PNG
(CHEMBL1924022)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-26-15-18(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(26)41-24-10-6-19(29)16-23(24)35-42(38,39)20-7-8-22(30)21(17-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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n/an/an/a 1.00E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359012
PNG
(CHEMBL1924013)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c28-19-6-11-25(24(16-19)34-40(37,38)21-9-10-23(29)22(17-21)27(30,31)32)39-20-7-4-18(5-8-20)26(36)33-12-15-35-13-2-1-3-14-35/h4-11,16-17,34H,1-3,12-15H2,(H,33,36)
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n/an/an/a 631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359016
PNG
(CHEMBL1924017)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C26H24Cl2F3N3O4S/c27-18-5-10-24(23(15-18)33-39(36,37)20-8-9-22(28)21(16-20)26(29,30)31)38-19-6-3-17(4-7-19)25(35)32-11-14-34-12-1-2-13-34/h3-10,15-16,33H,1-2,11-14H2,(H,32,35)
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n/an/an/a 501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359015
PNG
(CHEMBL1924016)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-25-17-26(41-19-7-5-18(6-8-19)27(37)34-11-14-36-12-3-2-4-13-36)24(16-23(25)30)35-42(38,39)20-9-10-22(29)21(15-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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n/an/an/a 398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/an/a 251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359014
PNG
(CHEMBL1924015)
Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-26(40-20-7-5-19(6-8-20)27(37)34-11-14-36-12-3-2-4-13-36)25(17-24(18)30)35-41(38,39)21-9-10-23(29)22(16-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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n/an/an/a 1.26E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359024
PNG
(CHEMBL1924004)
Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-8-9-21(27)22(28)15-20)25(30-16-18)36-19-6-4-17(5-7-19)24(33)29-10-13-32-11-2-1-3-12-32/h4-9,14-16,31H,1-3,10-13H2,(H,29,33)
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n/an/an/a 1.58E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359020
PNG
(CHEMBL1924021)
Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-19(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(18)40-26-10-6-20(29)16-24(26)35-41(38,39)21-7-8-23(30)22(17-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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n/an/an/a 2.51E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359019
PNG
(CHEMBL1924020)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCC(F)(F)C1
Show InChI InChI=1S/C26H22Cl2F5N3O4S/c27-17-3-8-23(22(13-17)35-41(38,39)19-6-7-21(28)20(14-19)26(31,32)33)40-18-4-1-16(2-5-18)24(37)34-10-12-36-11-9-25(29,30)15-36/h1-8,13-14,35H,9-12,15H2,(H,34,37)
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n/an/an/a 3.98E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359017
PNG
(CHEMBL1924018)
Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-25(39-19-6-4-18(5-7-19)26(36)33-10-13-35-11-2-3-12-35)24(16-23(17)29)34-40(37,38)20-8-9-22(28)21(15-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/an/a 398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359022
PNG
(CHEMBL1924023)
Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-18(26(36)33-10-13-35-11-2-3-12-35)4-8-24(17)39-25-9-5-19(28)15-23(25)34-40(37,38)20-6-7-22(29)21(16-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/an/a 501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359018
PNG
(CHEMBL1924019)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-24-16-25(40-18-6-4-17(5-7-18)26(36)33-10-13-35-11-2-3-12-35)23(15-22(24)29)34-41(37,38)19-8-9-21(28)20(14-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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n/an/an/a 398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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n/an/an/a 398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...

Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%