Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50306392'   

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))	BDBM50306392 (5-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy...) Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C20H12ClF3N2O3S/c21-14-8-11(20(22,23)24)9-25-18(14)29-15-6-5-10(12-3-1-2-4-13(12)15)7-16-17(27)26-19(28)30-16/h1-6,8-9,27H,7H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.36E+4	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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