Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD(P)H dehydrogenase [quinone] 1' and Ligand = 'BDBM50309780'   

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))	BDBM50309780 (5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c13 Show InChI InChI=1S/C18H19N5O3/c1-23(2,25)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(26-3)4-7-15(12)22(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3	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	328	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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