Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359126' 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)) | BDBM50359126
(CHEMBL1922790)Show SMILES CNC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-8.01,-39.15,;-6.67,-38.38,;-5.34,-39.16,;-4.01,-38.39,;-5.35,-40.7,;-6.68,-41.46,;-6.68,-43,;-8.02,-43.77,;-8.03,-45.3,;-6.7,-46.08,;-5.36,-45.31,;-5.35,-43.76,;-6.7,-47.62,;-7.95,-48.53,;-7.46,-49.99,;-5.93,-49.98,;-4.9,-51.12,;-3.4,-50.8,;-2.93,-49.33,;-3.96,-48.19,;-5.45,-48.52,;-4.02,-41.47,;-4.03,-43.01,;-2.71,-43.79,;-1.37,-43.03,;-1.36,-41.49,;-2.69,-40.7,;-.04,-43.81,;-.05,-45.35,;1.3,-43.04,;2.63,-43.82,;3.97,-43.06,;3.97,-41.53,;5.3,-40.77,;5.31,-39.23,;6.64,-41.55,;7.98,-40.78,;6.63,-43.09,;7.96,-43.87,;5.29,-43.85,)| Show InChI InChI=1S/C31H35F3N4O2/c1-35-31(40)30(37-22-9-7-20(8-10-22)24-18-36-27-5-3-2-4-23(24)27)21-12-14-38(15-13-21)28(39)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,36-37H,7-10,12-15H2,1H3,(H,35,40)/b11-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 980 | 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 | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359126
(CHEMBL1922790)Show SMILES CNC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-8.01,-39.15,;-6.67,-38.38,;-5.34,-39.16,;-4.01,-38.39,;-5.35,-40.7,;-6.68,-41.46,;-6.68,-43,;-8.02,-43.77,;-8.03,-45.3,;-6.7,-46.08,;-5.36,-45.31,;-5.35,-43.76,;-6.7,-47.62,;-7.95,-48.53,;-7.46,-49.99,;-5.93,-49.98,;-4.9,-51.12,;-3.4,-50.8,;-2.93,-49.33,;-3.96,-48.19,;-5.45,-48.52,;-4.02,-41.47,;-4.03,-43.01,;-2.71,-43.79,;-1.37,-43.03,;-1.36,-41.49,;-2.69,-40.7,;-.04,-43.81,;-.05,-45.35,;1.3,-43.04,;2.63,-43.82,;3.97,-43.06,;3.97,-41.53,;5.3,-40.77,;5.31,-39.23,;6.64,-41.55,;7.98,-40.78,;6.63,-43.09,;7.96,-43.87,;5.29,-43.85,)| Show InChI InChI=1S/C31H35F3N4O2/c1-35-31(40)30(37-22-9-7-20(8-10-22)24-18-36-27-5-3-2-4-23(24)27)21-12-14-38(15-13-21)28(39)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,36-37H,7-10,12-15H2,1H3,(H,35,40)/b11-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 984 | 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 | |
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