Found 60 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212136
((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 |c:13| 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 | PDB
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| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of chemotaxis in human MCP1 monocytes |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212127
((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 |c:8| 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 | PDB
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| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of chemotaxis in human MCP1 monocytes |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212128
((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 |c:14| 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 | PDB
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| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of chemotaxis in human MCP1 monocytes |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212127
((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 |c:8| 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 | PDB
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| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Ca2+ flux in human monocytes |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212136
((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 |c:13| 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 | PDB
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| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Ca2+ flux in human monocytes |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212127
((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 |c:8| 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 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212128
((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 |c:14| 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 | PDB
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| n/a | n/a | 2.04 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Ca2+ flux in human monocytes |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212136
((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 |c:13| 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 | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212146
(1-ethyl-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:5.7,2.1,c:12| Show InChI InChI=1S/C30H34F4N2O/c1-3-28(27(37)35-18-21-14-23(30(32,33)34)16-24(31)15-21)10-9-25(17-28)36-13-12-29(20(2)19-36)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212122
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CSC[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 |c:13| Show InChI InChI=1S/C30H34F4N2OS/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25+,28-,29+/m0/s1 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212146
(1-ethyl-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:5.7,2.1,c:12| Show InChI InChI=1S/C30H34F4N2O/c1-3-28(27(37)35-18-21-14-23(30(32,33)34)16-24(31)15-21)10-9-25(17-28)36-13-12-29(20(2)19-36)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212128
((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 |c:14| 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 | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212140
((1S,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:8| Show InChI InChI=1S/C29H32F4N2O/c1-19-18-35(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27-,28+/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212134
(CHEMBL231038 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES CCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C31H36F4N2O/c1-3-10-29(28(38)36-19-22-15-24(31(33,34)35)17-25(32)16-22)11-9-26(18-29)37-14-13-30(21(2)20-37)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,36,38)/t21-,26?,29?,30+/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212136
((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 |c:13| 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 | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212131
(1-(cyclopropylmethyl)-N-{[3-fluoro-5-(trifluoromet...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C32H36F4N2O/c1-21-20-38(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(39)37-19-23-14-25(32(34,35)36)16-26(33)15-23/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,37,39)/t21-,27?,30?,31+/m0/s1 | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212135
(CHEMBL266017 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(C1)(C1CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:18.27,15.17,c:8| Show InChI InChI=1S/C32H34F6N2O/c1-20-19-40(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(41)39-18-21-14-24(31(33,34)35)16-25(15-21)32(36,37)38/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,39,41)/t20-,26?,29+,30?/m0/s1 | PDB
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212128
((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 |c:14| 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 | Reactome pathway
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212145
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C32H36F6N2O/c1-20(2)30(28(41)39-18-22-14-24(31(33,34)35)16-25(15-22)32(36,37)38)11-9-26(17-30)40-13-12-29(21(3)19-40)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,39,41)/t21-,26+,29+,30-/m0/s1 | PDB
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212127
((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 |c:8| 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 | Reactome pathway
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212139
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CC(C)C[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:14| Show InChI InChI=1S/C33H38F6N2O/c1-21(2)17-30(29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39)10-9-27(18-30)41-13-12-31(22(3)20-41)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,40,42)/t22-,27+,30+,31+/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212125
(CHEMBL389610 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES COCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C30H34F4N2O2/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 | PDB
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| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212141
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28+/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212126
(CHEMBL388007 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:5.7,2.1,c:12| Show InChI InChI=1S/C31H34F6N2O/c1-3-28(27(40)38-18-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37)10-9-25(17-28)39-13-12-29(20(2)19-39)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212130
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CSC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C31H34F6N2OS/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25+,28-,29+/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212131
(1-(cyclopropylmethyl)-N-{[3-fluoro-5-(trifluoromet...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C32H36F4N2O/c1-21-20-38(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(39)37-19-23-14-25(32(34,35)36)16-26(33)15-23/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,37,39)/t21-,27?,30?,31+/m0/s1 | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212145
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C32H36F6N2O/c1-20(2)30(28(41)39-18-22-14-24(31(33,34)35)16-25(15-22)32(36,37)38)11-9-26(17-30)40-13-12-29(21(3)19-40)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,39,41)/t21-,26+,29+,30-/m0/s1 | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212144
(CHEMBL230831 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES COCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C31H34F6N2O2/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1 | PDB
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| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212138
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CCC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C32H36F6N2O/c1-3-10-29(28(41)39-19-22-15-24(31(33,34)35)17-25(16-22)32(36,37)38)11-9-26(18-29)40-14-13-30(21(2)20-40)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,39,41)/t21-,26+,29-,30+/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212122
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CSC[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 |c:13| Show InChI InChI=1S/C30H34F4N2OS/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25+,28-,29+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212134
(CHEMBL231038 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES CCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C31H36F4N2O/c1-3-10-29(28(38)36-19-22-15-24(31(33,34)35)17-25(32)16-22)11-9-26(18-29)37-14-13-30(21(2)20-37)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,36,38)/t21-,26?,29?,30+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212126
(CHEMBL388007 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:5.7,2.1,c:12| Show InChI InChI=1S/C31H34F6N2O/c1-3-28(27(40)38-18-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37)10-9-25(17-28)39-13-12-29(20(2)19-39)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212124
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](CC2CCC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28+,31+,32+/m0/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212132
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@H](C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C29H30F6N2O/c1-18-17-37(11-10-27(18)9-8-20-4-2-3-5-25(20)27)24-7-6-21(14-24)26(38)36-16-19-12-22(28(30,31)32)15-23(13-19)29(33,34)35/h2-5,8-9,12-13,15,18,21,24H,6-7,10-11,14,16-17H2,1H3,(H,36,38)/t18-,21-,24+,27+/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212142
(CHEMBL230078 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H36F6N2O/c1-21-20-41(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,40,42)/t21-,27?,30?,31+/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212139
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CC(C)C[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:14| Show InChI InChI=1S/C33H38F6N2O/c1-21(2)17-30(29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39)10-9-27(18-30)41-13-12-31(22(3)20-41)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,40,42)/t22-,27+,30+,31+/m0/s1 | Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212123
(CHEMBL231143 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES CCCCCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:9.11,6.5,c:16| Show InChI InChI=1S/C34H42F4N2O/c1-3-4-5-8-13-32(31(41)39-22-25-18-27(34(36,37)38)20-28(35)19-25)14-12-29(21-32)40-17-16-33(24(2)23-40)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,39,41)/t24-,29?,32?,33+/m0/s1 | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212137
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CS[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:12| Show InChI InChI=1S/C30H32F6N2OS/c1-19-18-38(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,40-2)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27+,28+/m0/s1 | PDB
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PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | PDB
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212138
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CCC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C32H36F6N2O/c1-3-10-29(28(41)39-19-22-15-24(31(33,34)35)17-25(16-22)32(36,37)38)11-9-26(18-29)40-14-13-30(21(2)20-40)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,39,41)/t21-,26+,29-,30+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 44.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212135
(CHEMBL266017 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(C1)(C1CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:18.27,15.17,c:8| Show InChI InChI=1S/C32H34F6N2O/c1-20-19-40(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(41)39-18-21-14-24(31(33,34)35)16-25(15-21)32(36,37)38/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,39,41)/t20-,26?,29+,30?/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212140
((1S,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:8| Show InChI InChI=1S/C29H32F4N2O/c1-19-18-35(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27-,28+/m0/s1 | Reactome pathway
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212142
(CHEMBL230078 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H36F6N2O/c1-21-20-41(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,40,42)/t21-,27?,30?,31+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 63.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212124
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](CC2CCC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28+,31+,32+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212130
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CSC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C31H34F6N2OS/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25+,28-,29+/m0/s1 | Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 65.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212143
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CS[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 |c:12| Show InChI InChI=1S/C29H32F4N2OS/c1-19-18-35(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,37-2)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27+,28+/m0/s1 | PDB
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Similars
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PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212125
(CHEMBL389610 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES COCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C30H34F4N2O2/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212144
(CHEMBL230831 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES COCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C31H34F6N2O2/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212141
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28+/m0/s1 | Reactome pathway
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212123
(CHEMBL231143 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES CCCCCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:9.11,6.5,c:16| Show InChI InChI=1S/C34H42F4N2O/c1-3-4-5-8-13-32(31(41)39-22-25-18-27(34(36,37)38)20-28(35)19-25)14-12-29(21-32)40-17-16-33(24(2)23-40)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,39,41)/t24-,29?,32?,33+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | PDB
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PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212143
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CS[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 |c:12| Show InChI InChI=1S/C29H32F4N2OS/c1-19-18-35(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,37-2)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27+,28+/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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PC cid
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UniChem
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PubMed
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | PDB
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PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | PDB
KEGG
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PC cid
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UniChem
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PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50212133
(CHEMBL398001 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CCCCCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.11,6.5,c:16| Show InChI InChI=1S/C35H42F6N2O/c1-3-4-5-8-13-32(31(44)42-22-25-18-27(34(36,37)38)20-28(19-25)35(39,40)41)14-12-29(21-32)43-17-16-33(24(2)23-43)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,42,44)/t24-,29?,32?,33+/m0/s1 | PDB
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PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212133
(CHEMBL398001 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CCCCCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.11,6.5,c:16| Show InChI InChI=1S/C35H42F6N2O/c1-3-4-5-8-13-32(31(44)42-22-25-18-27(34(36,37)38)20-28(19-25)35(39,40)41)14-12-29(21-32)43-17-16-33(24(2)23-43)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,42,44)/t24-,29?,32?,33+/m0/s1 | Reactome pathway
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PC cid
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UniChem
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PubMed
| n/a | n/a | 279 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212137
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CS[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:12| Show InChI InChI=1S/C30H32F6N2OS/c1-19-18-38(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,40-2)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27+,28+/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 559 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 559 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
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