Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359113'   

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))	BDBM50359113 (CHEMBL1922802) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CN(C1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(38.72,-24.2,;40.06,-24.97,;41.39,-24.2,;40.05,-26.51,;38.72,-27.28,;38.72,-28.82,;37.38,-29.58,;37.37,-31.11,;38.7,-31.89,;40.04,-31.12,;40.05,-29.58,;38.7,-33.43,;37.45,-34.34,;37.93,-35.8,;39.47,-35.79,;40.5,-36.93,;42,-36.61,;42.47,-35.14,;41.44,-34.01,;39.95,-34.33,;41.38,-27.28,;41.78,-28.77,;43.27,-28.38,;42.87,-26.89,;44.6,-29.16,;44.59,-30.7,;45.94,-28.4,;47.26,-29.18,;48.6,-28.41,;48.6,-26.88,;49.94,-26.12,;49.94,-24.58,;51.27,-26.9,;52.61,-26.13,;51.26,-28.44,;52.59,-29.22,;49.93,-29.2,)| Show InChI InChI=1S/C28H29F3N4O2/c29-22-11-16(12-23(30)26(22)31)5-10-25(36)35-14-18(15-35)27(28(32)37)34-19-8-6-17(7-9-19)21-13-33-24-4-2-1-3-20(21)24/h1-5,10-13,17-19,27,33-34H,6-9,14-15H2,(H2,32,37)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	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
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