Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM50536996'   

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))	BDBM50536996 (CHEMBL4581404) Show SMILES Cc1c(Cl)cccc1NCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C19H16ClN5O/c1-12-15(20)8-5-9-16(12)21-11-14-10-17(26)25-19(22-14)23-18(24-25)13-6-3-2-4-7-13/h2-10,21H,11H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	10	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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