Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alcohol dehydrogenase class-3' and Ligand = 'BDBM47044'   

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))	BDBM47044 (US8906933, (R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1 |c:26| Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10E+4	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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