Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50211500'   

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))	BDBM50211500 ((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...) Show SMILES C[C@@]1(CC[C@H](C1)N1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:14| Show InChI InChI=1S/C29H30F6N2O/c1-26(25(38)36-18-19-14-21(28(30,31)32)16-22(15-19)29(33,34)35)8-7-23(17-26)37-12-10-27(11-13-37)9-6-20-4-2-3-5-24(20)27/h2-6,9,14-16,23H,7-8,10-13,17-18H2,1H3,(H,36,38)/t23-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125]hMCP1 from human CCR2 receptor expressed in human monocytes				J Med Chem 50: 2609-11 (2007) Article DOI: 10.1021/jm070166b BindingDB Entry DOI: 10.7270/Q2WW7HCF
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