Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50306384'   

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))	BDBM50306384 (5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...) Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O Show InChI InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,24H,5H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Displacement of 3-(2-Fluoro-4-((2'-methyl-4'-(2-(2-((7-nitrobenzo[c][1,2,5]-oxadiazol-4-yl)amino)ethoxy)ethoxy)-[1,1'-biphenyl]-3-yl)-methoxy)phenyl)...				J Med Chem 59: 4849-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00202 BindingDB Entry DOI: 10.7270/Q24T6M9W
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50306384 (5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...) Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O Show InChI InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,24H,5H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	87.1	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry				J Med Chem 54: 6691-703 (2011) Article DOI: 10.1021/jm2005699 BindingDB Entry DOI: 10.7270/Q25T3MRW
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50306384 (5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...) Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O Show InChI InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,24H,5H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	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
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50306384 (5-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)...) Show SMILES Cc1cc(Oc2ncc(cc2Cl)C(F)(F)F)ccc1Cc1sc(=O)[nH]c1O Show InChI InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,24H,5H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity at human C-terminal eYFP-tagged FFA1 receptor expressed in HEK-293 cells assessed as beta-arrestin2 recruitment incubated for 5 mins...				J Med Chem 59: 4849-58 (2016) Article DOI: 10.1021/acs.jmedchem.6b00202 BindingDB Entry DOI: 10.7270/Q24T6M9W
					More data for this Ligand-Target Pair