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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50416292'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416292
PNG
(CHEMBL1171207)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C20H16ClNO5S/c1-13-6-11-17(22-28(25,26)15-9-7-14(21)8-10-15)19(12-13)27-18-5-3-2-4-16(18)20(23)24/h2-12,22H,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416292
PNG
(CHEMBL1171207)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C20H16ClNO5S/c1-13-6-11-17(22-28(25,26)15-9-7-14(21)8-10-15)19(12-13)27-18-5-3-2-4-16(18)20(23)24/h2-12,22H,1H3,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair