Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50306391'   

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
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50306391 (5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...) Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)cc(C)c1Cc1sc(=O)[nH]c1O Show InChI InChI=1S/C18H14ClF3N2O3S/c1-8-3-11(27-16-13(19)5-10(7-23-16)18(20,21)22)4-9(2)12(8)6-14-15(25)24-17(26)28-14/h3-5,7,25H,6H2,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA				Bioorg Med Chem Lett 20: 1298-301 (2010) Article DOI: 10.1016/j.bmcl.2009.10.052 BindingDB Entry DOI: 10.7270/Q2QC03KS
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