Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alcohol dehydrogenase class-3' and Ligand = 'BDBM123693'   

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
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123693 (US8741915, 1) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccccc1)c1ccccc1 |c:18| Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,20,22,28H,2H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
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