Found 59 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)) | BDBM50198149
((S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-...)Show SMILES CNC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198115
(CHEMBL438304 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(C)=O)n2)CCC11C=Cc2ccccc12 |w:6.5,36.37,c:40| Show InChI InChI=1S/C32H32F6N4O2S/c1-19-17-42(12-10-30(19)9-7-22-5-3-4-6-26(22)30)11-8-25(27-18-45-29(41-27)40-20(2)43)28(44)39-16-21-13-23(31(33,34)35)15-24(14-21)32(36,37)38/h3-7,9,13-15,18-19,25H,8,10-12,16-17H2,1-2H3,(H,39,44)(H,40,41,43)/t19-,25?,30?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198129
(CHEMBL388487 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10,c:20| Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198109
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetam...)Show SMILES CC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H30F6N4O2S/c1-18(40)37-27-38-25(17-42-27)24(9-12-39-10-7-21(8-11-39)20-5-3-2-4-6-20)26(41)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,17,21,24H,7-12,16H2,1H3,(H,36,41)(H,37,38,40)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198142
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES CNC(=O)Nc1nc(cs1)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:21| Show InChI InChI=1S/C31H31F6N5O2S/c1-38-27(44)41-28-40-25(18-45-28)23(7-11-42-12-9-29(10-13-42)8-6-20-4-2-3-5-24(20)29)26(43)39-17-19-14-21(30(32,33)34)16-22(15-19)31(35,36)37/h2-6,8,14-16,18,23H,7,9-13,17H2,1H3,(H,39,43)(H2,38,40,41,44)/t23-/m0/s1 | 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
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198150
(CHEMBL397749 | N-(3,5-bis-trifluoromethyl-benzyl)-...)Show SMILES [#7]\[#6](-[#7])=[#7]\c1nc(cs1)-[#6](-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H30F6N6OS/c29-27(30,31)20-12-17(13-21(14-20)28(32,33)34)15-37-24(41)22(23-16-42-26(38-23)39-25(35)36)8-11-40-9-6-19(7-10-40)18-4-2-1-3-5-18/h1-5,12-14,16,19,22H,6-11,15H2,(H,37,41)(H4,35,36,38,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198121
(2-(2-amino-1,3-thiazol-4-yl)-N-{[3,5-bis(trifluoro...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(N)n2)CCC11C=Cc2ccccc12 |w:6.5,33.34,c:37| Show InChI InChI=1S/C30H30F6N4OS/c1-18-16-40(11-9-28(18)8-6-20-4-2-3-5-24(20)28)10-7-23(25-17-42-27(37)39-25)26(41)38-15-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h2-6,8,12-14,17-18,23H,7,9-11,15-16H2,1H3,(H2,37,39)(H,38,41)/t18-,23?,28?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198118
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES CC(=O)Nc1nc(cs1)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:20| Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42)/t24-/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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198129
(CHEMBL388487 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10,c:20| Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198141
(CHEMBL230790 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C29H29F7N4O2S/c1-17(41)38-27-39-25(16-43-27)24(8-11-40-9-6-20(7-10-40)19-2-4-23(30)5-3-19)26(42)37-15-18-12-21(28(31,32)33)14-22(13-18)29(34,35)36/h2-5,12-14,16,20,24H,6-11,15H2,1H3,(H,37,42)(H,38,39,41) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198149
((S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-...)Show SMILES CNC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198109
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetam...)Show SMILES CC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H30F6N4O2S/c1-18(40)37-27-38-25(17-42-27)24(9-12-39-10-7-21(8-11-39)20-5-3-2-4-6-20)26(41)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,17,21,24H,7-12,16H2,1H3,(H,36,41)(H,37,38,40)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198131
(3-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-ox...)Show SMILES CN(C)C(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.12| Show InChI InChI=1S/C30H33F6N5O2S/c1-40(2)28(43)39-27-38-25(18-44-27)24(10-13-41-11-8-21(9-12-41)20-6-4-3-5-7-20)26(42)37-17-19-14-22(29(31,32)33)16-23(15-19)30(34,35)36/h3-7,14-16,18,21,24H,8-13,17H2,1-2H3,(H,37,42)(H,38,39,43) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198125
(CHEMBL387583 | methyl 4-(1-(3,5-bis(trifluoromethy...)Show SMILES COC(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H30F6N4O3S/c1-42-27(41)38-26-37-24(17-43-26)23(9-12-39-10-7-20(8-11-39)19-5-3-2-4-6-19)25(40)36-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,36,40)(H,37,38,41) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198140
(1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-ox...)Show SMILES CNC(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:10.11| Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198115
(CHEMBL438304 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(C)=O)n2)CCC11C=Cc2ccccc12 |w:6.5,36.37,c:40| Show InChI InChI=1S/C32H32F6N4O2S/c1-19-17-42(12-10-30(19)9-7-22-5-3-4-6-26(22)30)11-8-25(27-18-45-29(41-27)40-20(2)43)28(44)39-16-21-13-23(31(33,34)35)15-24(14-21)32(36,37)38/h3-7,9,13-15,18-19,25H,8,10-12,16-17H2,1-2H3,(H,39,44)(H,40,41,43)/t19-,25?,30?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198130
(4-(4-(1H-benzo[d]imidazol-1-yl)piperidin-1-yl)-N-(...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCC(CC1)n1cnc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C30H30F6N6O2S/c1-18(43)39-28-40-25(16-45-28)23(27(44)37-15-19-12-20(29(31,32)33)14-21(13-19)30(34,35)36)8-11-41-9-6-22(7-10-41)42-17-38-24-4-2-3-5-26(24)42/h2-5,12-14,16-17,22-23H,6-11,15H2,1H3,(H,37,44)(H,39,40,43) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198123
((S)-methyl 4-(1-(3,5-bis(trifluoromethyl)benzylami...)Show SMILES COC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H30F6N4O3S/c1-42-27(41)38-26-37-24(17-43-26)23(9-12-39-10-7-20(8-11-39)19-5-3-2-4-6-19)25(40)36-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,36,40)(H,37,38,41)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198126
(CHEMBL230684 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CCC(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:10.11| Show InChI InChI=1S/C30H32F6N4O2S/c1-2-26(41)39-28-38-25(18-43-28)24(10-13-40-11-8-21(9-12-40)20-6-4-3-5-7-20)27(42)37-17-19-14-22(29(31,32)33)16-23(15-19)30(34,35)36/h3-7,14-16,18,21,24H,2,8-13,17H2,1H3,(H,37,42)(H,38,39,41) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198145
(CHEMBL230794 | N-(4-(1-(3,5-bis(trifluoromethyl)be...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC(CC2)c2ccccc2)c2csc(NC(=O)C3CC3)n2)cc(c1)C(F)(F)F |w:11.11| Show InChI InChI=1S/C31H32F6N4O2S/c32-30(33,34)23-14-19(15-24(16-23)31(35,36)37)17-38-28(43)25(26-18-44-29(39-26)40-27(42)22-6-7-22)10-13-41-11-8-21(9-12-41)20-4-2-1-3-5-20/h1-5,14-16,18,21-22,25H,6-13,17H2,(H,38,43)(H,39,40,42) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198124
(CHEMBL397747 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC(CC2)c2ccccc2)c2csc(NC=O)n2)cc(c1)C(F)(F)F |w:11.11| Show InChI InChI=1S/C28H28F6N4O2S/c29-27(30,31)21-12-18(13-22(14-21)28(32,33)34)15-35-25(40)23(24-16-41-26(37-24)36-17-39)8-11-38-9-6-20(7-10-38)19-4-2-1-3-5-19/h1-5,12-14,16-17,20,23H,6-11,15H2,(H,35,40)(H,36,37,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198137
(CHEMBL389888 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C29H30F6N4O2S/c1-18(40)37-27-38-25(17-42-27)24(9-12-39-10-7-21(8-11-39)20-5-3-2-4-6-20)26(41)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,17,21,24H,7-12,16H2,1H3,(H,36,41)(H,37,38,40) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198118
((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES CC(=O)Nc1nc(cs1)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:20| Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198146
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES CNC(=O)Nc1nc(cs1)[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:21| Show InChI InChI=1S/C31H31F6N5O2S/c1-38-27(44)41-28-40-25(18-45-28)23(7-11-42-12-9-29(10-13-42)8-6-20-4-2-3-5-24(20)29)26(43)39-17-19-14-21(30(32,33)34)16-22(15-19)31(35,36)37/h2-6,8,14-16,18,23H,7,9-13,17H2,1H3,(H,39,43)(H2,38,40,41,44)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198112
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES CC(=O)Nc1nc(cs1)[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:20| Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198122
(2-(2-amino-1,3-thiazol-4-yl)-N-{[3,5-bis(trifluoro...)Show SMILES Nc1nc(cs1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.7,c:17| Show InChI InChI=1S/C29H28F6N4OS/c30-28(31,32)20-13-18(14-21(15-20)29(33,34)35)16-37-25(40)22(24-17-41-26(36)38-24)6-10-39-11-8-27(9-12-39)7-5-19-3-1-2-4-23(19)27/h1-5,7,13-15,17,22H,6,8-12,16H2,(H2,36,38)(H,37,40) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198151
(CHEMBL395721 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(C)C(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.12| Show InChI InChI=1S/C31H34F6N4O2S/c1-19(2)27(42)40-29-39-26(18-44-29)25(10-13-41-11-8-22(9-12-41)21-6-4-3-5-7-21)28(43)38-17-20-14-23(30(32,33)34)16-24(15-20)31(35,36)37/h3-7,14-16,18-19,22,25H,8-13,17H2,1-2H3,(H,38,43)(H,39,40,42) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198108
(CHEMBL230727 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES Nc1nc(cs1)C(CCN1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.7| Show InChI InChI=1S/C27H27F7N4OS/c28-21-3-1-17(2-4-21)18-5-8-38(9-6-18)10-7-22(23-15-40-25(35)37-23)24(39)36-14-16-11-19(26(29,30)31)13-20(12-16)27(32,33)34/h1-4,11-13,15,18,22H,5-10,14H2,(H2,35,37)(H,36,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198119
(CHEMBL231340 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:47| Show InChI InChI=1S/C37H35F6N5O2S/c1-23-21-48(15-12-35(23)11-9-25-6-2-3-8-30(25)35)14-10-29(31-22-51-34(46-31)47-32(49)19-28-7-4-5-13-44-28)33(50)45-20-24-16-26(36(38,39)40)18-27(17-24)37(41,42)43/h2-9,11,13,16-18,22-23,29H,10,12,14-15,19-21H2,1H3,(H,45,50)(H,46,47,49)/t23-,29?,35+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198117
(CHEMBL231252 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C23H26F6N4O2S/c1-14(34)31-21-32-19(13-36-21)18(5-8-33-6-3-2-4-7-33)20(35)30-12-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,13,18H,2-8,12H2,1H3,(H,30,35)(H,31,32,34) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198120
((R)-tert-butyl 4-(1-(3,5-bis(trifluoromethyl)benzy...)Show SMILES CC(C)(C)OC(=O)Nc1nc(cs1)[C@@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H36F6N4O3S/c1-30(2,3)45-29(44)41-28-40-26(19-46-28)25(11-14-42-12-9-22(10-13-42)21-7-5-4-6-8-21)27(43)39-18-20-15-23(31(33,34)35)17-24(16-20)32(36,37)38/h4-8,15-17,19,22,25H,9-14,18H2,1-3H3,(H,39,43)(H,40,41,44)/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.3 | 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198135
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-aminot...)Show SMILES Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H28F6N4OS/c28-26(29,30)20-12-17(13-21(14-20)27(31,32)33)15-35-24(38)22(23-16-39-25(34)36-23)8-11-37-9-6-19(7-10-37)18-4-2-1-3-5-18/h1-5,12-14,16,19,22H,6-11,15H2,(H2,34,36)(H,35,38)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.3 | 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198111
(CHEMBL231149 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)c3cccnc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C36H33F6N5O2S/c1-22-20-47(14-11-34(22)10-8-24-5-2-3-7-29(24)34)13-9-28(30-21-50-33(45-30)46-31(48)25-6-4-12-43-19-25)32(49)44-18-23-15-26(35(37,38)39)17-27(16-23)36(40,41)42/h2-8,10,12,15-17,19,21-22,28H,9,11,13-14,18,20H2,1H3,(H,44,49)(H,45,46,48)/t22-,28?,34+/m0/s1 | PDB
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
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198133
((S)-tert-butyl 4-(1-(3,5-bis(trifluoromethyl)benzy...)Show SMILES CC(C)(C)OC(=O)Nc1nc(cs1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H36F6N4O3S/c1-30(2,3)45-29(44)41-28-40-26(19-46-28)25(11-14-42-12-9-22(10-13-42)21-7-5-4-6-8-21)27(43)39-18-20-15-23(31(33,34)35)17-24(16-20)32(36,37)38/h4-8,15-17,19,22,25H,9-14,18H2,1-3H3,(H,39,43)(H,40,41,44)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.3 | 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198143
(CHEMBL438514 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCN(CC1)c1ccccc1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C29H31F6N5O2S/c1-18-5-3-4-6-25(18)40-11-9-39(10-12-40)8-7-23(24-17-43-27(38-24)37-19(2)41)26(42)36-16-20-13-21(28(30,31)32)15-22(14-20)29(33,34)35/h3-6,13-15,17,23H,7-12,16H2,1-2H3,(H,36,42)(H,37,38,41) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198132
(CHEMBL230165 | N-(4-(1-(3,5-bis(trifluoromethyl)be...)Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC(CC2)c2ccccc2)c2csc(NC(=O)c3ccccc3)n2)cc(c1)C(F)(F)F |w:11.11| Show InChI InChI=1S/C34H32F6N4O2S/c35-33(36,37)26-17-22(18-27(19-26)34(38,39)40)20-41-31(46)28(13-16-44-14-11-24(12-15-44)23-7-3-1-4-8-23)29-21-47-32(42-29)43-30(45)25-9-5-2-6-10-25/h1-10,17-19,21,24,28H,11-16,20H2,(H,41,46)(H,42,43,45) | PDB
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
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198110
(CHEMBL388869 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)c3ccccc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C37H34F6N4O2S/c1-23-21-47(16-14-35(23)13-11-25-7-5-6-10-30(25)35)15-12-29(31-22-50-34(45-31)46-32(48)26-8-3-2-4-9-26)33(49)44-20-24-17-27(36(38,39)40)19-28(18-24)37(41,42)43/h2-11,13,17-19,22-23,29H,12,14-16,20-21H2,1H3,(H,44,49)(H,45,46,48)/t23-,29?,35+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198127
(CHEMBL396101 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(C)(C)C(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:12.13| Show InChI InChI=1S/C32H36F6N4O2S/c1-30(2,3)28(44)41-29-40-26(19-45-29)25(11-14-42-12-9-22(10-13-42)21-7-5-4-6-8-21)27(43)39-18-20-15-23(31(33,34)35)17-24(16-20)32(36,37)38/h4-8,15-17,19,22,25H,9-14,18H2,1-3H3,(H,39,43)(H,40,41,44) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198116
(CHEMBL438128 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:47| Show InChI InChI=1S/C38H36F6N4O2S/c1-24-22-48(16-14-36(24)13-11-27-9-5-6-10-31(27)36)15-12-30(32-23-51-35(46-32)47-33(49)19-25-7-3-2-4-8-25)34(50)45-21-26-17-28(37(39,40)41)20-29(18-26)38(42,43)44/h2-11,13,17-18,20,23-24,30H,12,14-16,19,21-22H2,1H3,(H,45,50)(H,46,47,49)/t24-,30?,36+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198136
(CHEMBL230624 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.7| Show InChI InChI=1S/C27H28F6N4OS/c28-26(29,30)20-12-17(13-21(14-20)27(31,32)33)15-35-24(38)22(23-16-39-25(34)36-23)8-11-37-9-6-19(7-10-37)18-4-2-1-3-5-18/h1-5,12-14,16,19,22H,6-11,15H2,(H2,34,36)(H,35,38) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198134
(CHEMBL395289 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C36H34F6N4O2S2/c1-22-20-46(13-11-34(22)10-8-24-5-2-3-7-29(24)34)12-9-28(30-21-50-33(44-30)45-31(47)18-27-6-4-14-49-27)32(48)43-19-23-15-25(35(37,38)39)17-26(16-23)36(40,41)42/h2-8,10,14-17,21-22,28H,9,11-13,18-20H2,1H3,(H,43,48)(H,44,45,47)/t22-,28?,34+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198112
((2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)Show SMILES CC(=O)Nc1nc(cs1)[C@@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:20| Show InChI InChI=1S/C31H30F6N4O2S/c1-19(42)39-28-40-26(18-44-28)24(7-11-41-12-9-29(10-13-41)8-6-21-4-2-3-5-25(21)29)27(43)38-17-20-14-22(30(32,33)34)16-23(15-20)31(35,36)37/h2-6,8,14-16,18,24H,7,9-13,17H2,1H3,(H,38,43)(H,39,40,42)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198128
(4-(4-(1H-benzo[d]imidazol-1-yl)piperidin-1-yl)-N-(...)Show SMILES Nc1nc(cs1)C(CCN1CCC(CC1)n1cnc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.7| Show InChI InChI=1S/C28H28F6N6OS/c29-27(30,31)18-11-17(12-19(13-18)28(32,33)34)14-36-25(41)21(23-15-42-26(35)38-23)7-10-39-8-5-20(6-9-39)40-16-37-22-3-1-2-4-24(22)40/h1-4,11-13,15-16,20-21H,5-10,14H2,(H2,35,38)(H,36,41) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28.6 | 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 human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198144
((R)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-...)Show SMILES CNC(=O)Nc1nc(cs1)[C@@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42)/t23-/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]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198148
(CHEMBL230791 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCN(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C28H28F7N5O2S/c1-17(41)37-26-38-24(16-43-26)23(6-7-39-8-10-40(11-9-39)22-4-2-21(29)3-5-22)25(42)36-15-18-12-19(27(30,31)32)14-20(13-18)28(33,34)35/h2-5,12-14,16,23H,6-11,15H2,1H3,(H,36,42)(H,37,38,41) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32.7 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198139
(CHEMBL397717 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)C3Cc4ccccc34)n2)CC[C@]11C=Cc2ccccc12 |w:32.32,6.5,c:49| Show InChI InChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198138
(CHEMBL230824 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CS(=O)(=O)Nc1nc(cs1)C(CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:10.11| Show InChI InChI=1S/C28H30F6N4O3S2/c1-43(40,41)37-26-36-24(17-42-26)23(9-12-38-10-7-20(8-11-38)19-5-3-2-4-6-19)25(39)35-16-18-13-21(27(29,30)31)15-22(14-18)28(32,33)34/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,35,39)(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198113
((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetam...)Show SMILES CC(=O)Nc1nc(cs1)[C@@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H30F6N4O2S/c1-18(40)37-27-38-25(17-42-27)24(9-12-39-10-7-21(8-11-39)20-5-3-2-4-6-20)26(41)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,17,21,24H,7-12,16H2,1H3,(H,36,41)(H,37,38,40)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198114
(CHEMBL231150 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CC(C(=O)Nc1nc(cs1)C(CCN1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |w:1.0,10.11,c:18| Show InChI InChI=1S/C39H38F6N4O2S/c1-24-22-49(17-15-37(24)14-12-28-10-6-7-11-32(28)37)16-13-31(33-23-52-36(47-33)48-34(50)25(2)27-8-4-3-5-9-27)35(51)46-21-26-18-29(38(40,41)42)20-30(19-26)39(43,44)45/h3-12,14,18-20,23-25,31H,13,15-17,21-22H2,1-2H3,(H,46,51)(H,47,48,50)/t24-,25?,31?,37+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198119
(CHEMBL231340 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:47| Show InChI InChI=1S/C37H35F6N5O2S/c1-23-21-48(15-12-35(23)11-9-25-6-2-3-8-30(25)35)14-10-29(31-22-51-34(46-31)47-32(49)19-28-7-4-5-13-44-28)33(50)45-20-24-16-26(36(38,39)40)18-27(17-24)37(41,42)43/h2-9,11,13,16-18,22-23,29H,10,12,14-15,19-21H2,1H3,(H,45,50)(H,46,47,49)/t23-,29?,35+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198134
(CHEMBL395289 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C36H34F6N4O2S2/c1-22-20-46(13-11-34(22)10-8-24-5-2-3-7-29(24)34)12-9-28(30-21-50-33(44-30)45-31(47)18-27-6-4-14-49-27)32(48)43-19-23-15-25(35(37,38)39)17-26(16-23)36(40,41)42/h2-8,10,14-17,21-22,28H,9,11-13,18-20H2,1H3,(H,43,48)(H,44,45,47)/t22-,28?,34+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198144
((R)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-...)Show SMILES CNC(=O)Nc1nc(cs1)[C@@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H31F6N5O2S/c1-36-26(42)39-27-38-24(17-43-27)23(9-12-40-10-7-20(8-11-40)19-5-3-2-4-6-19)25(41)37-16-18-13-21(28(30,31)32)15-22(14-18)29(33,34)35/h2-6,13-15,17,20,23H,7-12,16H2,1H3,(H,37,41)(H2,36,38,39,42)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2 |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198139
(CHEMBL397717 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)C3Cc4ccccc34)n2)CC[C@]11C=Cc2ccccc12 |w:32.32,6.5,c:49| Show InChI InChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198116
(CHEMBL438128 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:47| Show InChI InChI=1S/C38H36F6N4O2S/c1-24-22-48(16-14-36(24)13-11-27-9-5-6-10-31(27)36)15-12-30(32-23-51-35(46-32)47-33(49)19-25-7-3-2-4-8-25)34(50)45-21-26-17-28(37(39,40)41)20-29(18-26)38(42,43)44/h2-11,13,17-18,20,23-24,30H,12,14-16,19,21-22H2,1H3,(H,45,50)(H,46,47,49)/t24-,30?,36+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198147
(CHEMBL427110 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(N)n2)CC1 |w:13.13| Show InChI InChI=1S/C27H29F6N5OS/c1-17-4-2-3-5-23(17)38-10-8-37(9-11-38)7-6-21(22-16-40-25(34)36-22)24(39)35-15-18-12-19(26(28,29)30)14-20(13-18)27(31,32)33/h2-5,12-14,16,21H,6-11,15H2,1H3,(H2,34,36)(H,35,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 183 | 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 monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198111
(CHEMBL231149 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)c3cccnc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C36H33F6N5O2S/c1-22-20-47(14-11-34(22)10-8-24-5-2-3-7-29(24)34)13-9-28(30-21-50-33(45-30)46-31(48)25-6-4-12-43-19-25)32(49)44-18-23-15-26(35(37,38)39)17-27(16-23)36(40,41)42/h2-8,10,12,15-17,19,21-22,28H,9,11,13-14,18,20H2,1H3,(H,44,49)(H,45,46,48)/t22-,28?,34+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198107
((R)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-phenyl...)Show SMILES FC(F)(F)c1cc(CNC(=O)[C@H](CCN2CCC(CC2)c2ccccc2)c2cscn2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H27F6N3OS/c28-26(29,30)21-12-18(13-22(14-21)27(31,32)33)15-34-25(37)23(24-16-38-17-35-24)8-11-36-9-6-20(7-10-36)19-4-2-1-3-5-19/h1-5,12-14,16-17,20,23H,6-11,15H2,(H,34,37)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198114
(CHEMBL231150 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CC(C(=O)Nc1nc(cs1)C(CCN1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |w:1.0,10.11,c:18| Show InChI InChI=1S/C39H38F6N4O2S/c1-24-22-49(17-15-37(24)14-12-28-10-6-7-11-32(28)37)16-13-31(33-23-52-36(47-33)48-34(50)25(2)27-8-4-3-5-9-27)35(51)46-21-26-18-29(38(40,41)42)20-30(19-26)39(43,44)45/h3-12,14,18-20,23-25,31H,13,15-17,21-22H2,1-2H3,(H,46,51)(H,47,48,50)/t24-,25?,31?,37+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 517 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198110
(CHEMBL388869 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)c3ccccc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C37H34F6N4O2S/c1-23-21-47(16-14-35(23)13-11-25-7-5-6-10-30(25)35)15-12-29(31-22-50-34(45-31)46-32(48)26-8-3-2-4-9-26)33(49)44-20-24-17-27(36(38,39)40)19-28(18-24)37(41,42)43/h2-11,13,17-19,22-23,29H,12,14-16,20-21H2,1H3,(H,44,49)(H,45,46,48)/t23-,29?,35+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 952 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
Search and Browse
