Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' and Ligand = 'BDBM212458'   

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 5 (Homo sapiens (Human))	BDBM212458 (US9278918, 48) Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(ccc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)12-6-7-13(11-4-2-1-3-5-11)14(10-12)22-16(26)23-17(8-9-17)15(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,22,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	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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