Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, heart' and Ligand = 'BDBM50346469'   

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
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50346469 (2-(2'-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyr...) Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(-c2cccs2)n(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H19ClN2O3S/c28-19-10-12-20(13-11-19)30-25(26-9-4-14-34-26)16-24(29-30)23-8-2-1-7-22(23)18-5-3-6-21(15-18)33-17-27(31)32/h1-16H,17H2,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human h-FABP by fluorescence spectrophotometry				Bioorg Med Chem Lett 21: 2949-52 (2011) Article DOI: 10.1016/j.bmcl.2011.03.063 BindingDB Entry DOI: 10.7270/Q2TM7BGB
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