Found 29 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)) | BDBM50315994
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363430
(CHEMBL1944776)Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363413
(CHEMBL1946830)Show SMILES CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C26H32F3N3O4S/c1-17(2)31-21-11-12-23(19(14-21)16-37(35,36)22-9-4-3-5-10-22)32-24(33)15-30-25(34)18-7-6-8-20(13-18)26(27,28)29/h3-10,13,17,19,21,23,31H,11-12,14-16H2,1-2H3,(H,30,34)(H,32,33)/t19-,21+,23-/m0/s1 | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363430
(CHEMBL1944776)Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1 | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human THP1 cells |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363432
(CHEMBL1944778)Show SMILES CC(C)N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C30H38F3N5O5S/c1-19(2)35-25-12-10-22(15-20(25)18-44(42,43)23-7-4-3-5-8-23)36-27(39)17-34-28(40)24-16-21(30(31,32)33)9-11-26(24)37-29(41)38-13-6-14-38/h3-5,7-9,11,16,19-20,22,25,35H,6,10,12-15,17-18H2,1-2H3,(H,34,40)(H,36,39)(H,37,41)/t20-,22+,25-/m1/s1 | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human THP1 cells |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363430
(CHEMBL1944776)Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1 | PDB
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 by monocyte transmigration assay in pesence of 0.1% BSA |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363430
(CHEMBL1944776)Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 by monocyte transmigration assay in pesence of 0.5% BSA |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363431
(CHEMBL1944777)Show SMILES CCN[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C29H36F3N5O5S/c1-2-33-24-12-10-21(15-19(24)18-43(41,42)22-7-4-3-5-8-22)35-26(38)17-34-27(39)23-16-20(29(30,31)32)9-11-25(23)36-28(40)37-13-6-14-37/h3-5,7-9,11,16,19,21,24,33H,2,6,10,12-15,17-18H2,1H3,(H,34,39)(H,35,38)(H,36,40)/t19-,21+,24-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human THP1 cells |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363415
(CHEMBL1946832)Show SMILES CC(C)N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H32F3N3O4S/c1-17(2)31-23-12-11-21(14-19(23)16-37(35,36)22-9-4-3-5-10-22)32-24(33)15-30-25(34)18-7-6-8-20(13-18)26(27,28)29/h3-10,13,17,19,21,23,31H,11-12,14-16H2,1-2H3,(H,30,34)(H,32,33)/t19-,21+,23-/m1/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363423
(CHEMBL1947042)Show SMILES CCN[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N3O4S/c1-2-29-22-12-11-20(14-18(22)16-36(34,35)21-9-4-3-5-10-21)31-23(32)15-30-24(33)17-7-6-8-19(13-17)25(26,27)28/h3-10,13,18,20,22,29H,2,11-12,14-16H2,1H3,(H,30,33)(H,31,32)/t18-,20+,22-/m1/s1 | PDB
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PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363425
(CHEMBL1947044)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H32F3N3O4S/c28-27(29,30)20-7-4-6-18(14-20)26(35)31-16-25(34)33-22-12-13-24(32-21-8-5-9-21)19(15-22)17-38(36,37)23-10-2-1-3-11-23/h1-4,6-7,10-11,14,19,21-22,24,32H,5,8-9,12-13,15-17H2,(H,31,35)(H,33,34)/t19-,22+,24-/m1/s1 | PDB
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363433
(CHEMBL1944779)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C31H40F3N5O5S/c1-20(2)38(3)27-13-11-23(16-21(27)19-45(43,44)24-8-5-4-6-9-24)36-28(40)18-35-29(41)25-17-22(31(32,33)34)10-12-26(25)37-30(42)39-14-7-15-39/h4-6,8-10,12,17,20-21,23,27H,7,11,13-16,18-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)/t21-,23+,27-/m1/s1 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human THP1 cells |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363412
(CHEMBL1946829)Show SMILES N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C23H26F3N3O4S/c24-23(25,26)17-6-4-5-15(11-17)22(31)28-13-21(30)29-20-10-9-18(27)12-16(20)14-34(32,33)19-7-2-1-3-8-19/h1-8,11,16,18,20H,9-10,12-14,27H2,(H,28,31)(H,29,30)/t16-,18+,20-/m0/s1 | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363424
(CHEMBL1947043)Show SMILES CCCN[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H32F3N3O4S/c1-2-13-30-23-12-11-21(15-19(23)17-37(35,36)22-9-4-3-5-10-22)32-24(33)16-31-25(34)18-7-6-8-20(14-18)26(27,28)29/h3-10,14,19,21,23,30H,2,11-13,15-17H2,1H3,(H,31,34)(H,32,33)/t19-,21+,23-/m1/s1 | PDB
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PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363414
(CHEMBL1946831)Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3O4S/c24-23(25,26)17-6-4-5-15(11-17)22(31)28-13-21(30)29-18-9-10-20(27)16(12-18)14-34(32,33)19-7-2-1-3-8-19/h1-8,11,16,18,20H,9-10,12-14,27H2,(H,28,31)(H,29,30)/t16-,18+,20-/m1/s1 | PDB
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PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363421
(CHEMBL1947040)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H](CC1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wD:5.4,8.11,(27.81,-38.11,;29.15,-38.88,;30.48,-38.1,;29.15,-40.42,;27.82,-41.19,;30.49,-41.18,;31.82,-40.41,;33.15,-41.18,;33.15,-42.72,;31.82,-43.49,;30.49,-42.72,;34.48,-43.5,;35.81,-42.73,;35.82,-41.19,;37.15,-43.5,;38.48,-42.73,;39.81,-43.5,;39.81,-45.04,;41.15,-42.73,;42.48,-43.51,;43.81,-42.75,;43.81,-41.21,;42.47,-40.43,;41.14,-41.21,;42.47,-38.89,;43.8,-38.12,;41.13,-38.13,;42.46,-37.35,)| Show InChI InChI=1S/C20H28F3N3O2/c1-13(2)26(3)17-9-7-16(8-10-17)25-18(27)12-24-19(28)14-5-4-6-15(11-14)20(21,22)23/h4-6,11,13,16-17H,7-10,12H2,1-3H3,(H,24,28)(H,25,27)/t16-,17+ | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363429
(CHEMBL1944780)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)24-13-12-22(15-20(24)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m1/s1 | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363429
(CHEMBL1944780)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)24-13-12-22(15-20(24)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m1/s1 | PDB
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| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human THP1 cells |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363426
(CHEMBL1944773)Show SMILES CN(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N3O4S/c1-31(2)22-12-11-20(14-18(22)16-36(34,35)21-9-4-3-5-10-21)30-23(32)15-29-24(33)17-7-6-8-19(13-17)25(26,27)28/h3-10,13,18,20,22H,11-12,14-16H2,1-2H3,(H,29,33)(H,30,32)/t18-,20+,22-/m1/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363422
(CHEMBL1947041)Show SMILES CN[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H28F3N3O4S/c1-28-21-11-10-19(13-17(21)15-35(33,34)20-8-3-2-4-9-20)30-22(31)14-29-23(32)16-6-5-7-18(12-16)24(25,26)27/h2-9,12,17,19,21,28H,10-11,13-15H2,1H3,(H,29,32)(H,30,31)/t17-,19+,21-/m1/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363417
(CHEMBL1946834)Show SMILES CC(C)N[C@@H]1CC[C@@H](C[C@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H32F3N3O4S/c1-17(2)31-23-12-11-21(14-19(23)16-37(35,36)22-9-4-3-5-10-22)32-24(33)15-30-25(34)18-7-6-8-20(13-18)26(27,28)29/h3-10,13,17,19,21,23,31H,11-12,14-16H2,1-2H3,(H,30,34)(H,32,33)/t19-,21-,23+/m0/s1 | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363428
(CHEMBL1944775)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CC[C@H]([C@@H](CS(=O)(=O)c2ccccc2)C1)N1CCCCC1 |r| Show InChI InChI=1S/C28H34F3N3O4S/c29-28(30,31)22-9-7-8-20(16-22)27(36)32-18-26(35)33-23-12-13-25(34-14-5-2-6-15-34)21(17-23)19-39(37,38)24-10-3-1-4-11-24/h1,3-4,7-11,16,21,23,25H,2,5-6,12-15,17-19H2,(H,32,36)(H,33,35)/t21-,23+,25-/m1/s1 | PDB
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363427
(CHEMBL1944774)Show SMILES CCCN(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-3-14-33(2)24-13-12-22(16-20(24)18-38(36,37)23-10-5-4-6-11-23)32-25(34)17-31-26(35)19-8-7-9-21(15-19)27(28,29)30/h4-11,15,20,22,24H,3,12-14,16-18H2,1-2H3,(H,31,35)(H,32,34)/t20-,22+,24-/m1/s1 | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363420
(CHEMBL1947039)Show SMILES CC(C)N[C@H]1CC[C@H](CC1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wD:4.3,7.10,(8.03,-38.12,;9.37,-38.89,;10.7,-38.11,;9.37,-40.43,;10.71,-41.19,;10.71,-42.73,;12.04,-43.49,;13.37,-42.73,;13.37,-41.19,;12.04,-40.41,;14.7,-43.5,;16.04,-42.73,;16.04,-41.19,;17.37,-43.51,;18.7,-42.74,;20.04,-43.51,;20.03,-45.05,;21.37,-42.74,;22.7,-43.52,;24.03,-42.76,;24.03,-41.21,;22.69,-40.44,;21.36,-41.21,;22.69,-38.9,;24.02,-38.13,;21.35,-38.14,;22.68,-37.36,)| Show InChI InChI=1S/C19H26F3N3O2/c1-12(2)24-15-6-8-16(9-7-15)25-17(26)11-23-18(27)13-4-3-5-14(10-13)19(20,21)22/h3-5,10,12,15-16,24H,6-9,11H2,1-2H3,(H,23,27)(H,25,26)/t15-,16+ | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50363432
(CHEMBL1944778)Show SMILES CC(C)N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C30H38F3N5O5S/c1-19(2)35-25-12-10-22(15-20(25)18-44(42,43)23-7-4-3-5-8-23)36-27(39)17-34-28(40)24-16-21(30(31,32)33)9-11-26(24)37-29(41)38-13-6-14-38/h3-5,7-9,11,16,19-20,22,25,35H,6,10,12-15,17-18H2,1-2H3,(H,34,40)(H,36,39)(H,37,41)/t20-,22+,25-/m1/s1 | PDB
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| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363418
(CHEMBL1946835)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H](C[C@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)24-13-12-22(15-20(24)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22-,24+/m0/s1 | PDB
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| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363416
(CHEMBL1946833)Show SMILES N[C@@H]1CC[C@@H](C[C@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3O4S/c24-23(25,26)17-6-4-5-15(11-17)22(31)28-13-21(30)29-18-9-10-20(27)16(12-18)14-34(32,33)19-7-2-1-3-8-19/h1-8,11,16,18,20H,9-10,12-14,27H2,(H,28,31)(H,29,30)/t16-,18-,20+/m0/s1 | PDB
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| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50363419
(CHEMBL1946836)Show SMILES N[C@H]1CC[C@H](CC1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wD:1.0,4.7,(-9.7,-39.98,;-8.36,-40.75,;-8.36,-42.29,;-7.03,-43.05,;-5.7,-42.29,;-5.7,-40.75,;-7.03,-39.97,;-4.37,-43.06,;-3.04,-42.29,;-3.03,-40.75,;-1.7,-43.06,;-.37,-42.3,;.96,-43.07,;.96,-44.61,;2.3,-42.3,;3.63,-43.08,;4.96,-42.31,;4.96,-40.77,;3.62,-40,;2.29,-40.77,;3.62,-38.46,;4.95,-37.69,;2.28,-37.69,;3.61,-36.91,)| Show InChI InChI=1S/C16H20F3N3O2/c17-16(18,19)11-3-1-2-10(8-11)15(24)21-9-14(23)22-13-6-4-12(20)5-7-13/h1-3,8,12-13H,4-7,9,20H2,(H,21,24)(H,22,23)/t12-,13+ | PDB
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| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50363430
(CHEMBL1944776)Show SMILES N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1 | PDB
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| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 |
Bioorg Med Chem Lett 22: 1384-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F |
More data for this
Ligand-Target Pair | |
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