Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alcohol dehydrogenase class-3' and Ligand = 'BDBM46437'   

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))	BDBM46437 (US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1ccccc1 |c:19| Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,20,26H,2H2,1H3,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
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