Found 35 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)) | BDBM50371414
(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 | PDB
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| Article
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50233341
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371414
(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 | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371413
(CHEMBL270959)Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H26F3N5O5S/c24-23(25,26)14-7-10-17(27)16(11-14)22(34)29-12-20(32)30-18-3-1-2-4-19(18)31-21(33)13-5-8-15(9-6-13)37(28,35)36/h5-11,18-19H,1-4,12,27H2,(H,29,34)(H,30,32)(H,31,33)(H2,28,35,36)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50233341
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1 | PDB
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| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50233341
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1 | PDB
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to wild type CCR2 |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371414
(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 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50233341
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371423
(CHEMBL270906)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5S/c24-23(25,26)16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(11-9-14)36(27,34)35/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371413
(CHEMBL270959)Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H26F3N5O5S/c24-23(25,26)14-7-10-17(27)16(11-14)22(34)29-12-20(32)30-18-3-1-2-4-19(18)31-21(33)13-5-8-15(9-6-13)37(28,35)36/h5-11,18-19H,1-4,12,27H2,(H,29,34)(H,30,32)(H,31,33)(H2,28,35,36)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371412
(CHEMBL411726)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C23H23F3IN3O3/c24-23(25,26)16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(27)11-9-14/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371412
(CHEMBL411726)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C23H23F3IN3O3/c24-23(25,26)16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(27)11-9-14/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371423
(CHEMBL270906)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5S/c24-23(25,26)16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(11-9-14)36(27,34)35/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371413
(CHEMBL270959)Show SMILES Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H26F3N5O5S/c24-23(25,26)14-7-10-17(27)16(11-14)22(34)29-12-20(32)30-18-3-1-2-4-19(18)31-21(33)13-5-8-15(9-6-13)37(28,35)36/h5-11,18-19H,1-4,12,27H2,(H,29,34)(H,30,32)(H,31,33)(H2,28,35,36)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371415
(CHEMBL272168)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-34-18-11-9-15(10-12-18)23(33)30-20-8-3-2-7-19(20)29-21(31)14-28-22(32)16-5-4-6-17(13-16)24(25,26)27/h4-6,9-13,19-20H,2-3,7-8,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t19-,20+/m0/s1 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371424
(CHEMBL429425)Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O5S/c1-36(34,35)18-11-9-15(10-12-18)23(33)30-20-8-3-2-7-19(20)29-21(31)14-28-22(32)16-5-4-6-17(13-16)24(25,26)27/h4-6,9-13,19-20H,2-3,7-8,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t19-,20+/m0/s1 | PDB
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371423
(CHEMBL270906)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5S/c24-23(25,26)16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(11-9-14)36(27,34)35/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371412
(CHEMBL411726)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C23H23F3IN3O3/c24-23(25,26)16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(27)11-9-14/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)/t18-,19+/m0/s1 | PDB
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PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371415
(CHEMBL272168)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-34-18-11-9-15(10-12-18)23(33)30-20-8-3-2-7-19(20)29-21(31)14-28-22(32)16-5-4-6-17(13-16)24(25,26)27/h4-6,9-13,19-20H,2-3,7-8,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t19-,20+/m0/s1 | PDB
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PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371416
(CHEMBL273079)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF3N3O2/c24-18-10-8-15(9-11-18)13-28-19-6-1-2-7-20(19)30-21(31)14-29-22(32)16-4-3-5-17(12-16)23(25,26)27/h3-5,8-12,19-20,28H,1-2,6-7,13-14H2,(H,29,32)(H,30,31)/t19-,20+/m1/s1 | PDB
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| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to wild type CCR2 |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371427
(CHEMBL271537)Show SMILES CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H32F3N3O2/c1-17(2)19-12-10-18(11-13-19)15-30-22-8-3-4-9-23(22)32-24(33)16-31-25(34)20-6-5-7-21(14-20)26(27,28)29/h5-7,10-14,17,22-23,30H,3-4,8-9,15-16H2,1-2H3,(H,31,34)(H,32,33)/t22-,23+/m1/s1 | PDB
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371428
(CHEMBL271752)Show SMILES FC(F)(F)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H25F6N3O2/c25-23(26,27)17-10-8-15(9-11-17)13-31-19-6-1-2-7-20(19)33-21(34)14-32-22(35)16-4-3-5-18(12-16)24(28,29)30/h3-5,8-12,19-20,31H,1-2,6-7,13-14H2,(H,32,35)(H,33,34)/t19-,20+/m1/s1 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371429
(CHEMBL270957)Show SMILES FC(F)(F)Oc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H25F6N3O3/c25-23(26,27)17-5-3-4-16(12-17)22(35)32-14-21(34)33-20-7-2-1-6-19(20)31-13-15-8-10-18(11-9-15)36-24(28,29)30/h3-5,8-12,19-20,31H,1-2,6-7,13-14H2,(H,32,35)(H,33,34)/t19-,20+/m1/s1 | PDB
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PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371422
(CHEMBL269898)Show SMILES Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H30F3N3O2/c1-16-10-11-19(17(2)12-16)14-29-21-8-3-4-9-22(21)31-23(32)15-30-24(33)18-6-5-7-20(13-18)25(26,27)28/h5-7,10-13,21-22,29H,3-4,8-9,14-15H2,1-2H3,(H,30,33)(H,31,32)/t21-,22-/m0/s1 | PDB
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| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371425
(CHEMBL411935)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3/c1-15-9-11-16(12-10-15)23(33)30-20-8-3-2-7-19(20)29-21(31)14-28-22(32)17-5-4-6-18(13-17)24(25,26)27/h4-6,9-13,19-20H,2-3,7-8,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t19-,20+/m0/s1 | PDB
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PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371416
(CHEMBL273079)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF3N3O2/c24-18-10-8-15(9-11-18)13-28-19-6-1-2-7-20(19)30-21(31)14-29-22(32)16-4-3-5-17(12-16)23(25,26)27/h3-5,8-12,19-20,28H,1-2,6-7,13-14H2,(H,29,32)(H,30,31)/t19-,20+/m1/s1 | PDB
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PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371419
(CHEMBL408172)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF3N3O2/c24-18-10-8-15(9-11-18)13-28-19-6-1-2-7-20(19)30-21(31)14-29-22(32)16-4-3-5-17(12-16)23(25,26)27/h3-5,8-12,19-20,28H,1-2,6-7,13-14H2,(H,29,32)(H,30,31)/t19-,20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371421
(CHEMBL409712)Show SMILES Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C26H32F3N3O2/c1-16-11-17(2)21(18(3)12-16)14-30-22-9-4-5-10-23(22)32-24(33)15-31-25(34)19-7-6-8-20(13-19)26(27,28)29/h6-8,11-13,22-23,30H,4-5,9-10,14-15H2,1-3H3,(H,31,34)(H,32,33)/t22-,23-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371415
(CHEMBL272168)Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-34-18-11-9-15(10-12-18)23(33)30-20-8-3-2-7-19(20)29-21(31)14-28-22(32)16-5-4-6-17(13-16)24(25,26)27/h4-6,9-13,19-20H,2-3,7-8,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t19-,20+/m0/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371417
(CHEMBL406925)Show SMILES Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H30F3N3O2/c1-16-10-11-19(17(2)12-16)14-29-21-8-3-4-9-22(21)31-23(32)15-30-24(33)18-6-5-7-20(13-18)25(26,27)28/h5-7,10-13,21-22,29H,3-4,8-9,14-15H2,1-2H3,(H,30,33)(H,31,32)/t21-,22+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371430
(CHEMBL272860)Show SMILES CN(Cc1ccc(C)cc1C)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H32F3N3O2/c1-17-11-12-20(18(2)13-17)16-32(3)23-10-5-4-9-22(23)31-24(33)15-30-25(34)19-7-6-8-21(14-19)26(27,28)29/h6-8,11-14,22-23H,4-5,9-10,15-16H2,1-3H3,(H,30,34)(H,31,33)/t22-,23-/m0/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 3.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371426
(CHEMBL272167)Show SMILES Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H28F3N3O3/c1-15-10-11-19(16(2)12-15)24(34)31-21-9-4-3-8-20(21)30-22(32)14-29-23(33)17-6-5-7-18(13-17)25(26,27)28/h5-7,10-13,20-21H,3-4,8-9,14H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)/t20-,21+/m0/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to wild type CCR2 |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371426
(CHEMBL272167)Show SMILES Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H28F3N3O3/c1-15-10-11-19(16(2)12-15)24(34)31-21-9-4-3-8-20(21)30-22(32)14-29-23(33)17-6-5-7-18(13-17)25(26,27)28/h5-7,10-13,20-21H,3-4,8-9,14H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)/t20-,21+/m0/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371420
(CHEMBL272407)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H24Cl2F3N3O2/c24-17-9-8-15(18(25)11-17)12-29-19-6-1-2-7-20(19)31-21(32)13-30-22(33)14-4-3-5-16(10-14)23(26,27)28/h3-5,8-11,19-20,29H,1-2,6-7,12-13H2,(H,30,33)(H,31,32)/t19-,20-/m0/s1 | PDB
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PC cid
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Similars
| Article
PubMed
| n/a | n/a | 7.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50371418
(CHEMBL407145)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClF3N3O3/c24-17-10-8-14(9-11-17)22(33)30-19-7-2-1-6-18(19)29-20(31)13-28-21(32)15-4-3-5-16(12-15)23(25,26)27/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)/t18-,19-/m0/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MCP1 from human CCR2 in PBMCs |
J Med Chem 51: 721-4 (2008)
Article DOI: 10.1021/jm701488f
BindingDB Entry DOI: 10.7270/Q2TX3G60 |
More data for this
Ligand-Target Pair | |
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