Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50198117'   

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))	BDBM50198117 (CHEMBL231252 | N-(3,5-bis(trifluoromethyl)benzyl)-...) Show SMILES CC(=O)Nc1nc(cs1)C(CCN1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10| Show InChI InChI=1S/C23H26F6N4O2S/c1-14(34)31-21-32-19(13-36-21)18(5-8-33-6-3-2-4-7-33)20(35)30-12-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,13,18H,2-8,12H2,1H3,(H,30,35)(H,31,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 expressed in monocytes				Bioorg Med Chem Lett 17: 309-14 (2007) Article DOI: 10.1016/j.bmcl.2006.10.059 BindingDB Entry DOI: 10.7270/Q25B0247
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