Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50231616'   

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))	BDBM50231616 (CHEMBL401609 | N-(3,5-bis(trifluoromethyl)benzyl)-...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccnnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O/c1-17(2)25(7-3-23(14-25)37-9-5-19(6-10-37)20-4-8-35-36-16-20)24(38)34-15-18-11-21(26(28,29)30)13-22(12-18)27(31,32)33/h4,8,11-13,16-17,19,23H,3,5-7,9-10,14-15H2,1-2H3,(H,34,38)/t23-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	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 CCR2 receptor in human monocytes				Bioorg Med Chem Lett 18: 994-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.029 BindingDB Entry DOI: 10.7270/Q2SQ9046
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