Found 516 hits with Last Name = 'goble' and Initial = 'sd' 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)) | BDBM50257994
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257994
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257994
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257995
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258046
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258046
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258090
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C(F)(F)F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H29F9N2O2/c1-13(2)21(5-3-17(10-21)35-19-4-6-37-12-18(19)24(31,32)33)20(36)34-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,35H,3-6,10-12H2,1-2H3,(H,34,36)/t17-,18?,19?,21+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231610
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(4...)Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H33F7N2O2/c1-26(2,40)27(25(39)37-17-18-13-21(28(31,32)33)15-22(14-18)29(34,35)36)10-7-24(16-27)38-11-8-20(9-12-38)19-3-5-23(30)6-4-19/h3-6,13-15,20,24,40H,7-12,16-17H2,1-2H3,(H,37,39)/t24-,27-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.30 | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50088301
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 | PDB
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DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CCR5 (unknown origin) |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50374521
(CHEMBL272369)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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in human monocytes |
Bioorg Med Chem Lett 18: 1374-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257994
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257994
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231615
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O/c1-17(2)25(6-3-23(12-25)37-7-4-19(5-8-37)20-14-34-16-35-15-20)24(38)36-13-18-9-21(26(28,29)30)11-22(10-18)27(31,32)33/h9-11,14-17,19,23H,3-8,12-13H2,1-2H3,(H,36,38)/t23-,25+/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human monocytes assessed as inhibition of MCP1-mediated chemotaxis |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231619
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(2-hy...)Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O2/c1-24(2,39)25(6-3-22(12-25)37-7-4-18(5-8-37)19-14-34-16-35-15-19)23(38)36-13-17-9-20(26(28,29)30)11-21(10-17)27(31,32)33/h9-11,14-16,18,22,39H,3-8,12-13H2,1-2H3,(H,36,38)/t22-,25-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human monocytes assessed as inhibition of MCP1-mediated chemotaxis |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311121
(CHEMBL1079108 | N-(4-(2-amino-2-methylpropyl)pheny...)Show SMILES CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc34)cc2)cc1 Show InChI InChI=1S/C30H34N4O3S/c1-29(2,31)20-21-12-14-24(15-13-21)34-38(36,37)25-18-16-23(17-19-25)32-28(35)33-30(3,4)27-11-7-9-22-8-5-6-10-26(22)27/h5-19,34H,20,31H2,1-4H3,(H2,32,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50374523
(CHEMBL402532)Show SMILES C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@]2(CCO[C@H]2OCc2cc(F)cc(c2)C(F)(F)F)C1 |c:8| Show InChI InChI=1S/C30H33F4NO2/c1-20-18-35(12-10-29(20)9-6-22-4-2-3-5-26(22)29)25-7-8-28(17-25)11-13-36-27(28)37-19-21-14-23(30(32,33)34)16-24(31)15-21/h2-6,9,14-16,20,25,27H,7-8,10-13,17-19H2,1H3/t20-,25+,27-,28+,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 assessed as inhibition of MCP1-induced monocyte chemotaxis |
Bioorg Med Chem Lett 18: 1374-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257995
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257995
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257995
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231620
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(4...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H33F7N2O/c1-18(2)27(26(39)37-17-19-13-22(28(31,32)33)15-23(14-19)29(34,35)36)10-7-25(16-27)38-11-8-21(9-12-38)20-3-5-24(30)6-4-20/h3-6,13-15,18,21,25H,7-12,16-17H2,1-2H3,(H,37,39)/t25-,27+/m1/s1 | PDB
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| n/a | n/a | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257841
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1COC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H26F6N2O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30)/t16-,19+/m1/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
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257994
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1 | 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]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231613
(CHEMBL258246 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccc(F)c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H33F7N2O/c1-18(2)27(26(39)37-17-19-12-22(28(31,32)33)15-23(13-19)29(34,35)36)9-6-25(16-27)38-10-7-20(8-11-38)21-4-3-5-24(30)14-21/h3-5,12-15,18,20,25H,6-11,16-17H2,1-2H3,(H,37,39)/t25-,27+/m1/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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50374523
(CHEMBL402532)Show SMILES C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@]2(CCO[C@H]2OCc2cc(F)cc(c2)C(F)(F)F)C1 |c:8| Show InChI InChI=1S/C30H33F4NO2/c1-20-18-35(12-10-29(20)9-6-22-4-2-3-5-26(22)29)25-7-8-28(17-25)11-13-36-27(28)37-19-21-14-23(30(32,33)34)16-24(31)15-21/h2-6,9,14-16,20,25,27H,7-8,10-13,17-19H2,1H3/t20-,25+,27-,28+,29-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.60 | 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 expressed in human monocytes |
Bioorg Med Chem Lett 18: 1374-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257898
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H30F6N2O2/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1 | PDB
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PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231615
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O/c1-17(2)25(6-3-23(12-25)37-7-4-19(5-8-37)20-14-34-16-35-15-20)24(38)36-13-18-9-21(26(28,29)30)11-22(10-18)27(31,32)33/h9-11,14-17,19,23H,3-8,12-13H2,1-2H3,(H,36,38)/t23-,25+/m1/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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231615
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O/c1-17(2)25(6-3-23(12-25)37-7-4-19(5-8-37)20-14-34-16-35-15-20)24(38)36-13-18-9-21(26(28,29)30)11-22(10-18)27(31,32)33/h9-11,14-17,19,23H,3-8,12-13H2,1-2H3,(H,36,38)/t23-,25+/m1/s1 | PDB
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| Article
PubMed
| 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258043
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CCCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H36F6N2O2/c1-4-5-18-15-36-9-7-22(18)34-21-6-8-24(13-21,16(2)3)23(35)33-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h10-12,16,18,21-22,34H,4-9,13-15H2,1-3H3,(H,33,35)/t18?,21-,22?,24+/m1/s1 | PDB
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| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258090
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C(F)(F)F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H29F9N2O2/c1-13(2)21(5-3-17(10-21)35-19-4-6-37-12-18(19)24(31,32)33)20(36)34-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,35H,3-6,10-12H2,1-2H3,(H,34,36)/t17-,18?,19?,21+/m1/s1 | PDB
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PubMed
| 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]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231614
(CHEMBL403033 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES COc1cccc(c1)C1CCN(CC1)[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C30H36F6N2O2/c1-19(2)28(27(39)37-18-20-13-23(29(31,32)33)16-24(14-20)30(34,35)36)10-7-25(17-28)38-11-8-21(9-12-38)22-5-4-6-26(15-22)40-3/h4-6,13-16,19,21,25H,7-12,17-18H2,1-3H3,(H,37,39)/t25-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 6 | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258046
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231612
(CHEMBL255513 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H33F6N3O/c1-18(2)26(8-5-24(15-26)37-10-6-20(7-11-37)21-4-3-9-35-17-21)25(38)36-16-19-12-22(27(29,30)31)14-23(13-19)28(32,33)34/h3-4,9,12-14,17-18,20,24H,5-8,10-11,15-16H2,1-2H3,(H,36,38)/t24-,26+/m1/s1 | PDB
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PubMed
| n/a | n/a | 6 | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231611
(CHEMBL255312 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccc(O)c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H34F6N2O2/c1-18(2)27(26(39)36-17-19-12-22(28(30,31)32)15-23(13-19)29(33,34)35)9-6-24(16-27)37-10-7-20(8-11-37)21-4-3-5-25(38)14-21/h3-5,12-15,18,20,24,38H,6-11,16-17H2,1-2H3,(H,36,39)/t24-,27+/m1/s1 | PDB
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 6 | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231619
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(2-hy...)Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O2/c1-24(2,39)25(6-3-22(12-25)37-7-4-18(5-8-37)19-14-34-16-35-15-19)23(38)36-13-17-9-20(26(28,29)30)11-21(10-17)27(31,32)33/h9-11,14-16,18,22,39H,3-8,12-13H2,1-2H3,(H,36,38)/t22-,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 6 | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258143
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3,5-...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1C(C)COCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H34F6N2O2/c1-14(2)23(6-5-20(10-23)33-21-15(3)12-35-13-16(21)4)22(34)32-11-17-7-18(24(26,27)28)9-19(8-17)25(29,30)31/h7-9,14-16,20-21,33H,5-6,10-13H2,1-4H3,(H,32,34)/t15?,16?,20-,21?,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258043
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CCCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H36F6N2O2/c1-4-5-18-15-36-9-7-22(18)34-21-6-8-24(13-21,16(2)3)23(35)33-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h10-12,16,18,21-22,34H,4-9,13-15H2,1-3H3,(H,33,35)/t18?,21-,22?,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311117
(CHEMBL1078900 | N-(4-(2-amino-2-methylpropyl)pheny...)Show SMILES CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 Show InChI InChI=1S/C26H32N4O3S/c1-18(2)20-7-11-21(12-8-20)28-25(31)29-22-13-15-24(16-14-22)34(32,33)30-23-9-5-19(6-10-23)17-26(3,4)27/h5-16,18,30H,17,27H2,1-4H3,(H2,28,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
Inhibition of human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257841
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1COC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H26F6N2O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30)/t16-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257841
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1COC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H26F6N2O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30)/t16-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311092
((S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydr...)Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)COc2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-20-33-31(39)35-25-12-18-30(19-13-25)43(40,41)36-26-10-8-24(9-11-26)21-32(2,3)34-22-28(38)23-42-29-16-14-27(37)15-17-29/h8-19,28,34,36-38H,4-7,20-23H2,1-3H3,(H2,33,35,39)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 [35S]MK0677 from human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311116
(CHEMBL1078899 | N-(4-(2-amino-2-methylpropyl)pheny...)Show SMILES CCc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 Show InChI InChI=1S/C25H30N4O3S/c1-4-18-5-9-20(10-6-18)27-24(30)28-21-13-15-23(16-14-21)33(31,32)29-22-11-7-19(8-12-22)17-25(2,3)26/h5-16,29H,4,17,26H2,1-3H3,(H2,27,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311119
(CHEMBL1079091 | N-(4-(2-amino-2-methylpropyl)pheny...)Show SMILES CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C27H34N4O3S/c1-26(2,3)20-8-12-21(13-9-20)29-25(32)30-22-14-16-24(17-15-22)35(33,34)31-23-10-6-19(7-11-23)18-27(4,5)28/h6-17,31H,18,28H2,1-5H3,(H2,29,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
Inhibition of human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50231620
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(4...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H33F7N2O/c1-18(2)27(26(39)37-17-19-13-22(28(31,32)33)15-23(14-19)29(34,35)36)10-7-25(16-27)38-11-8-21(9-12-38)20-3-5-24(30)6-4-20/h3-6,13-15,18,21,25H,7-12,16-17H2,1-2H3,(H,37,39)/t25-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 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 [33S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311120
(CHEMBL1079107 | N-(4-(2-amino-2-methylpropyl)pheny...)Show SMILES CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)cc1 Show InChI InChI=1S/C28H30N4O3S/c1-28(2,29)18-20-10-12-24(13-11-20)32-36(34,35)25-16-14-23(15-17-25)31-27(33)30-19-22-8-5-7-21-6-3-4-9-26(21)22/h3-17,32H,18-19,29H2,1-2H3,(H2,30,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257900
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H30F6N2OS/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50231618
(CHEMBL401608 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cc(Cl)ncn1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H31ClF6N4O2/c1-24(2,40)25(23(39)35-14-16-9-18(26(29,30)31)11-19(10-16)27(32,33)34)6-3-20(13-25)38-7-4-17(5-8-38)21-12-22(28)37-15-36-21/h9-12,15,17,20,40H,3-8,13-14H2,1-2H3,(H,35,39)/t20-,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | 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 CCR2 receptor in human monocytes |
Bioorg Med Chem Lett 18: 994-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.029
BindingDB Entry DOI: 10.7270/Q2SQ9046 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50258092
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOC(C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-20(12-22)32-19-5-7-34-15(3)8-19)21(33)31-13-16-9-17(23(25,26)27)11-18(10-16)24(28,29)30/h9-11,14-15,19-20,32H,4-8,12-13H2,1-3H3,(H,31,33)/t15?,19?,20-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
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]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50088301
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 | PDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
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]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311118
(CHEMBL1078982 | N-(4-(2-amino-2-methylpropyl)pheny...)Show SMILES CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 Show InChI InChI=1S/C27H34N4O3S/c1-4-5-6-20-7-11-22(12-8-20)29-26(32)30-23-15-17-25(18-16-23)35(33,34)31-24-13-9-21(10-14-24)19-27(2,3)28/h7-18,31H,4-6,19,28H2,1-3H3,(H2,29,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
Inhibition of human GHS-R1a |
Bioorg Med Chem Lett 19: 6237-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50257899
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O2/c1-15(2)22(7-5-20(13-22)32-19-4-3-8-34-9-6-19)21(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19-20,32H,3-9,13-14H2,1-2H3,(H,31,33)/t19?,20-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 1830-4 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ |
More data for this
Ligand-Target Pair | |
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