Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50433744'   

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))	BDBM50433744 (CHEMBL2381294) Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r| Show InChI InChI=1S/C30H32O8S/c1-18-10-23(35-8-5-9-39(3,33)34)11-19(2)30(18)21-7-4-6-20(12-21)28-17-37-26-14-24-22(13-29(31)32)16-36-25(24)15-27(26)38-28/h4,6-7,10-12,14-15,22,28H,5,8-9,13,16-17H2,1-3H3,(H,31,32)/t22-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	282	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Agonist activity at human GPR40 transfected in CHO cells by calcium flux assay				Bioorg Med Chem Lett 23: 2920-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.060 BindingDB Entry DOI: 10.7270/Q26M3878
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