Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359128' 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)) | BDBM50359128
(CHEMBL1922788 | US8921559, 49a | US8921559, 49b)Show SMILES COC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(17.93,-23.92,;16.6,-23.15,;15.26,-23.91,;13.93,-23.14,;15.26,-25.45,;13.92,-26.22,;13.92,-27.76,;12.58,-28.52,;12.58,-30.05,;13.91,-30.83,;15.24,-30.06,;15.25,-28.52,;13.9,-32.37,;12.66,-33.28,;13.14,-34.74,;14.67,-34.73,;15.7,-35.87,;17.21,-35.55,;17.68,-34.08,;16.65,-32.95,;15.15,-33.27,;16.59,-26.23,;16.57,-27.77,;17.9,-28.54,;19.24,-27.78,;19.25,-26.24,;17.91,-25.46,;20.57,-28.56,;20.56,-30.1,;21.9,-27.8,;23.23,-28.58,;24.57,-27.82,;24.57,-26.29,;25.91,-25.52,;25.91,-23.98,;27.24,-26.3,;28.58,-25.54,;27.23,-27.84,;28.56,-28.62,;25.89,-28.6,)| Show InChI InChI=1S/C31H34F3N3O3/c1-40-31(39)30(36-22-9-7-20(8-10-22)24-18-35-27-5-3-2-4-23(24)27)21-12-14-37(15-13-21)28(38)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,35-36H,7-10,12-15H2,1H3/b11-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359128
(CHEMBL1922788 | US8921559, 49a | US8921559, 49b)Show SMILES COC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(17.93,-23.92,;16.6,-23.15,;15.26,-23.91,;13.93,-23.14,;15.26,-25.45,;13.92,-26.22,;13.92,-27.76,;12.58,-28.52,;12.58,-30.05,;13.91,-30.83,;15.24,-30.06,;15.25,-28.52,;13.9,-32.37,;12.66,-33.28,;13.14,-34.74,;14.67,-34.73,;15.7,-35.87,;17.21,-35.55,;17.68,-34.08,;16.65,-32.95,;15.15,-33.27,;16.59,-26.23,;16.57,-27.77,;17.9,-28.54,;19.24,-27.78,;19.25,-26.24,;17.91,-25.46,;20.57,-28.56,;20.56,-30.1,;21.9,-27.8,;23.23,-28.58,;24.57,-27.82,;24.57,-26.29,;25.91,-25.52,;25.91,-23.98,;27.24,-26.3,;28.58,-25.54,;27.23,-27.84,;28.56,-28.62,;25.89,-28.6,)| Show InChI InChI=1S/C31H34F3N3O3/c1-40-31(39)30(36-22-9-7-20(8-10-22)24-18-35-27-5-3-2-4-23(24)27)21-12-14-37(15-13-21)28(38)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,35-36H,7-10,12-15H2,1H3/b11-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359128
(CHEMBL1922788 | US8921559, 49a | US8921559, 49b)Show SMILES COC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(17.93,-23.92,;16.6,-23.15,;15.26,-23.91,;13.93,-23.14,;15.26,-25.45,;13.92,-26.22,;13.92,-27.76,;12.58,-28.52,;12.58,-30.05,;13.91,-30.83,;15.24,-30.06,;15.25,-28.52,;13.9,-32.37,;12.66,-33.28,;13.14,-34.74,;14.67,-34.73,;15.7,-35.87,;17.21,-35.55,;17.68,-34.08,;16.65,-32.95,;15.15,-33.27,;16.59,-26.23,;16.57,-27.77,;17.9,-28.54,;19.24,-27.78,;19.25,-26.24,;17.91,-25.46,;20.57,-28.56,;20.56,-30.1,;21.9,-27.8,;23.23,-28.58,;24.57,-27.82,;24.57,-26.29,;25.91,-25.52,;25.91,-23.98,;27.24,-26.3,;28.58,-25.54,;27.23,-27.84,;28.56,-28.62,;25.89,-28.6,)| Show InChI InChI=1S/C31H34F3N3O3/c1-40-31(39)30(36-22-9-7-20(8-10-22)24-18-35-27-5-3-2-4-23(24)27)21-12-14-37(15-13-21)28(38)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,35-36H,7-10,12-15H2,1H3/b11-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
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