Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM212450'   

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))	BDBM212450 (US9278918, 40) Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H14ClFN2O3/c18-11-3-6-13(10-1-4-12(19)5-2-10)14(9-11)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...				US Patent US9278918 (2016) BindingDB Entry DOI: 10.7270/Q28914P6
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