Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM234691'   

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))	BDBM234691 (US9353102, 6.8) Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1scc(C2CC2)c1-c1nc(no1)C1CC1 |t:3| Show InChI InChI=1S/C19H19N3O4S/c23-16(11-2-1-3-12(11)19(24)25)21-18-14(13(8-27-18)9-4-5-9)17-20-15(22-26-17)10-6-7-10/h8-10H,1-7H2,(H,21,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.2	n/a	n/a	n/a	n/a	7.5	n/a
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 μM to 0.003 μM final comp...				US Patent US9353102 (2016) BindingDB Entry DOI: 10.7270/Q23F4NH4
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