Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50192275'   

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))	BDBM50192275 ((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...) Show SMILES CC1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CCC11C=Cc2ccccc12 |c:38| Show InChI InChI=1S/C33H31F7N2O/c1-21-20-42(15-13-31(21)12-10-24-4-2-3-5-29(24)31)14-11-28(23-6-8-27(34)9-7-23)30(43)41-19-22-16-25(32(35,36)37)18-26(17-22)33(38,39)40/h2-10,12,16-18,21,28H,11,13-15,19-20H2,1H3,(H,41,43)/t21?,28-,31?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cells				J Med Chem 49: 4801-4 (2006) Article DOI: 10.1021/jm060439n BindingDB Entry DOI: 10.7270/Q2VQ329M
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