Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM50536999'   

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, adipocyte (Homo sapiens (Human))	BDBM50536999 (CHEMBL4547281) Show SMILES Clc1cccc(NCc2cc(=O)n3nc(nc3[nH]2)-c2ccccc2)c1C1CC1 Show InChI InChI=1S/C21H18ClN5O/c22-16-7-4-8-17(19(16)13-9-10-13)23-12-15-11-18(28)27-21(24-15)25-20(26-27)14-5-2-1-3-6-14/h1-8,11,13,23H,9-10,12H2,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity to recombinant FABP4 (unknown origin) expressed in Escherichia coli by sypro orange dye-based TdF assay				Eur J Med Chem 165: 332-346 (2019) Article DOI: 10.1016/j.ejmech.2019.01.027 BindingDB Entry DOI: 10.7270/Q2988BJH
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