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Compile Data Set for Download or QSAR

Found 2685 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2'   
Target
(Institution)
LigandTarget
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))
BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 0.0300n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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n/an/a 0.0400n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF1alpha from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 0.0800n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF1alpha from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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n/an/a 0.0900n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50212136
PNG
((1S,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H36F4N2O/c1-20(2)30(28(38)36-18-22-14-24(31(33,34)35)16-25(32)15-22)11-9-26(17-30)37-13-12-29(21(3)19-37)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,36,38)/t21-,26+,29+,30-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of chemotaxis in human MCP1 monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377038
PNG
(CHEMBL258205)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H33Cl2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009224
PNG
(CHEMBL3233188)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C27H40F3N3O4S/c1-17(2)32(6)21-10-11-23(19(15-21)16-38(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-20(14-18)27(28,29)30/h7-9,14,17,19,21-23H,10-13,15-16H2,1-6H3,(H,31,34)/t19-,21+,22-,23-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009220
PNG
(CHEMBL3233186)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268371
PNG
(CHEMBL502247 | N-(2-((1S,2R,4R)-4-(isopropyl(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C
Show InChI InChI=1S/C28H36F3N3O4S2/c1-18(2)34(3)22-8-13-25(20(15-22)17-40(37,38)24-11-9-23(39-4)10-12-24)33-26(35)16-32-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,18,20,22,25H,8,13,15-17H2,1-4H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50212127
PNG
((1S,3R)-1-cyclopropyl-N-{[3-fluoro-5-(trifluoromet...)
Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@](C1)(C1CC1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H34F4N2O/c1-20-19-37(13-12-29(20)10-8-22-4-2-3-5-27(22)29)26-9-11-30(17-26,23-6-7-23)28(38)36-18-21-14-24(31(33,34)35)16-25(32)15-21/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,36,38)/t20-,26+,29+,30-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of chemotaxis in human MCP1 monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089354
PNG
(CHEMBL3577945)
Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/s2
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n/an/a 0.240n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 0.25n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 (unknown origin) expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50012008
PNG
(CHEMBL3263286)
Show SMILES CNC(=O)c1cccc(c1)C1CCN(CC1)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1COc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N3O4/c1-34-27(37)21-4-2-3-20(13-21)19-7-10-35(11-8-19)24-15-26-29(16-24,9-12-39-26)28(38)36-17-22-14-23(30(31,32)33)5-6-25(22)40-18-36/h2-6,13-14,19,24,26H,7-12,15-18H2,1H3,(H,34,37)/t24-,26-,29-/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315998
PNG
(CHEMBL1090893 | N-((S)-1-((1S,2R,4R)-4-(ethyl(isop...)
Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C30H38F3N3O4S/c1-4-35(20(2)3)24-13-14-27(22(18-24)19-41(39,40)25-11-6-5-7-12-25)36-16-15-26(29(36)38)34-28(37)21-9-8-10-23(17-21)30(31,32)33/h5-12,17,20,22,24,26-27H,4,13-16,18-19H2,1-3H3,(H,34,37)/t22-,24+,26-,27-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268423
PNG
(CHEMBL497202 | N-(2-((1S,2R,4R)-4-(dimethylamino)-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C
Show InChI InChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50257995
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)
Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50212128
PNG
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)
Show SMILES CC(C)C[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C32H38F4N2O/c1-21(2)17-30(29(39)37-19-23-14-25(32(34,35)36)16-26(33)15-23)10-9-27(18-30)38-13-12-31(22(3)20-38)11-8-24-6-4-5-7-28(24)31/h4-8,11,14-16,21-22,27H,9-10,12-13,17-20H2,1-3H3,(H,37,39)/t22-,27+,30+,31+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of chemotaxis in human MCP1 monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009220
PNG
(CHEMBL3233186)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268423
PNG
(CHEMBL497202 | N-(2-((1S,2R,4R)-4-(dimethylamino)-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C
Show InChI InChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089366
PNG
(CHEMBL3577948)
Show SMILES CC(C)[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1/C26H36F3N5O/c1-15(2)19-13-18(33(5)16(3)4)7-9-23(19)34-11-10-22(25(34)35)32-24-20-12-17(26(27,28)29)6-8-21(20)30-14-31-24/h6,8,12,14-16,18-19,22-23H,7,9-11,13H2,1-5H3,(H,30,31,32)/t18-,19+,22+,23+/s2
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315992
PNG
(CHEMBL1092678 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccc(C)cc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C30H38F3N3O4S/c1-19(2)35(4)24-10-13-27(22(17-24)18-41(39,40)25-11-8-20(3)9-12-25)36-15-14-26(29(36)38)34-28(37)21-6-5-7-23(16-21)30(31,32)33/h5-9,11-12,16,19,22,24,26-27H,10,13-15,17-18H2,1-4H3,(H,34,37)/t22-,24+,26-,27-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198149
PNG
((S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-...)
Show SMILES CNC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42)/t23-/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2b receptor


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198149
PNG
((S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-...)
Show SMILES CNC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42)/t23-/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089355
PNG
(CHEMBL3577932)
Show SMILES CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F
Show InChI InChI=1/C24H38F3N5O4/c1-6-7-20(33)19(12-28-11-14(2)3)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-15(4)5/h8-10,14-15,19-20,28,33H,6-7,11-13H2,1-5H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/s2
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n/an/a<0.450n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089356
PNG
(CHEMBL3577933)
Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F
Show InChI InChI=1/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/s2
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n/an/a<0.450n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315993
PNG
(CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albumin


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268371
PNG
(CHEMBL502247 | N-(2-((1S,2R,4R)-4-(isopropyl(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C
Show InChI InChI=1S/C28H36F3N3O4S2/c1-18(2)34(3)22-8-13-25(20(15-22)17-40(37,38)24-11-9-23(39-4)10-12-24)33-26(35)16-32-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,18,20,22,25H,8,13,15-17H2,1-4H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50371414
PNG
(CHEMBL271828)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C30H36F3N5O6S/c31-30(32,33)20-12-15-23(37-27(40)18-6-2-1-3-7-18)22(16-20)29(42)35-17-26(39)36-24-8-4-5-9-25(24)38-28(41)19-10-13-21(14-11-19)45(34,43)44/h10-16,18,24-25H,1-9,17H2,(H,35,42)(H,36,39)(H,37,40)(H,38,41)(H2,34,43,44)/t24-,25+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089364
PNG
(CHEMBL3577946)
Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/s2
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089364
PNG
(CHEMBL3577946)
Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/s2
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315993
PNG
(CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009221
PNG
(CHEMBL3233187)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O
Show InChI InChI=1S/C29H47N3O4S/c1-19(2)31(8)24-12-13-26(22(17-24)18-37(35,36)20(3)4)32-15-14-25(28(32)34)30-27(33)21-10-9-11-23(16-21)29(5,6)7/h9-11,16,19-20,22,24-26H,12-15,17-18H2,1-8H3,(H,30,33)/t22-,24+,25-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50382932
PNG
(CHEMBL2029422)
Show SMILES O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1
Show InChI InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22-,23-,28-/m0/s1
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TBA

Assay Description
Inhibition of CCR2-mediated Erk phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198115
PNG
(CHEMBL438304 | N-{[3,5-bis(trifluoromethyl)phenyl]...)
Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(C)=O)n2)CCC11C=Cc2ccccc12
Show InChI InChI=1S/C32H32F6N4O2S/c1-19-17-42(12-10-30(19)9-7-22-5-3-4-6-26(22)30)11-8-25(27-18-45-29(41-27)40-20(2)43)28(44)39-16-21-13-23(31(33,34)35)15-24(14-21)32(36,37)38/h3-7,9,13-15,18-19,25H,8,10-12,16-17H2,1-2H3,(H,39,44)(H,40,41,43)/t19-,25?,30?/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377034
PNG
(CHEMBL256301)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C30H36Cl2N4O4S/c1-41(39,40)34-23-4-6-28-24(17-23)25(18-33-28)21-8-12-35(13-9-21)29(19-37)22-10-14-36(15-11-22)30(38)7-3-20-2-5-26(31)27(32)16-20/h2-7,16-18,21-22,29,33-34,37H,8-15,19H2,1H3/b7-3+
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n/an/a 0.600n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089353
PNG
(CHEMBL3577942)
Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NCC)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1/C28H42F3N5O3/c1-6-8-18-15-20(35(5)17(3)4)10-12-24(18)36-14-13-23(26(36)38)33-25(37)21-16-19(28(29,30)31)9-11-22(21)34-27(39)32-7-2/h9,11,16-18,20,23-24H,6-8,10,12-15H2,1-5H3,(H,33,37)(H2,32,34,39)/t18-,20-,23+,24+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009217
PNG
(CHEMBL3233184)
Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377039
PNG
(CHEMBL257191)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H33F2N3O2/c30-23-15-20(16-24(31)17-23)5-6-29(36)34-13-9-22(10-14-34)28(19-35)33-11-7-21(8-12-33)26-18-32-27-4-2-1-3-25(26)27/h1-6,15-18,21-22,28,32,35H,7-14,19H2/b6-5+
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n/an/a 0.600n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50212127
PNG
((1S,3R)-1-cyclopropyl-N-{[3-fluoro-5-(trifluoromet...)
Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@](C1)(C1CC1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H34F4N2O/c1-20-19-37(13-12-29(20)10-8-22-4-2-3-5-27(22)29)26-9-11-30(17-26,23-6-7-23)28(38)36-18-21-14-24(31(33,34)35)16-25(32)15-21/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,36,38)/t20-,26+,29+,30-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ca2+ flux in human monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50089354
PNG
(CHEMBL3577945)
Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C
Show InChI InChI=1/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/s2
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009214
PNG
(CHEMBL3233181)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O
Show InChI InChI=1S/C26H42N4O4S/c1-17(2)29(6)19-11-12-22(18(15-19)16-35(7,33)34)30-14-13-21(25(30)32)28-24(31)20-9-8-10-23(27-20)26(3,4)5/h8-10,17-19,21-22H,11-16H2,1-7H3,(H,28,31)/t18-,19+,21-,22-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198109
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetam...)
Show SMILES CC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H30F6N4O2S/c1-18(40)37-27-38-25(17-42-27)24(9-12-39-10-7-21(8-11-39)20-5-3-2-4-6-20)26(41)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,17,21,24H,7-12,16H2,1H3,(H,36,41)(H,37,38,40)/t24-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198129
PNG
(CHEMBL388487 | N-{[3,5-bis(trifluoromethyl)phenyl]...)
Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268424
PNG
(CHEMBL502793 | N-(2-((1S,2R,4R)-4-(diethylamino)-2...)
Show SMILES CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1
Show InChI InChI=1S/C28H36F3N3O4S2/c1-4-34(5-2)22-9-14-25(20(16-22)18-40(37,38)24-12-10-23(39-3)11-13-24)33-26(35)17-32-27(36)19-7-6-8-21(15-19)28(29,30)31/h6-8,10-13,15,20,22,25H,4-5,9,14,16-18H2,1-3H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50212136
PNG
((1S,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H36F4N2O/c1-20(2)30(28(38)36-18-22-14-24(31(33,34)35)16-25(32)15-22)11-9-26(17-30)37-13-12-29(21(3)19-37)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,36,38)/t21-,26+,29+,30-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ca2+ flux in human monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198142
PNG
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)
Show SMILES CNC(=O)Nc1nc(cs1)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H31F6N5O2S/c1-38-27(44)41-28-40-25(18-45-28)23(7-11-42-12-9-29(10-13-42)8-6-20-4-2-3-5-24(20)29)26(43)39-17-19-14-21(30(32,33)34)16-22(15-19)31(35,36)37/h2-6,8,14-16,18,23H,7,9-13,17H2,1H3,(H,39,43)(H2,38,40,41,44)/t23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50258046
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay


Citation and Details
More data for this
Ligand-Target Pair
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