Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD(P)H dehydrogenase [quinone] 1' and Ligand = 'BDBM50309777'   

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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309777 (5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...) Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C17H17N5O2/c1-22(2,24)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)21(16)20-19-13/h3-8,18H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
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