Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50309766
Substrate
n/a
Meas. Tech.
ChEMBL_610871 (CHEMBL1065026)
IC50
111±n/a nM
Citation
 Nolan, KA; Humphries, MP; Barnes, J; Doncaster, JR; Caraher, MC; Tirelli, N; Bryce, RA; Whitehead, RC; Stratford, IJ Triazoloacridin-6-ones as novel inhibitors of the quinone oxidoreductases NQO1 and NQO2. Bioorg Med Chem 18:696-706 (2010) [PubMed]  Article 
Target
Name:
NAD(P)H dehydrogenase [quinone] 1
Synonyms:
Azoreductase | DIA4 | DT-diaphorase | Menadione reductase | NAD(P)H:quinone oxidoreductase 1 | NMOR1 | NQO1 | NQO1_HUMAN | Phylloquinone reductase | QR1 | Quinone Reductase 1 | Quinone reductase 1)
Type:
Homodimer
Mol. Mass.:
30874.82
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
274
Sequence:
MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKLKDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERVFIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFCGFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMKKEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK
  
Inhibitor
Name:
BDBM50309766
Synonyms:
5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one | 5-(2-Dimethylamino-ethylamino)-8-methoxy-1,2,10b-triaza-aceanthrylen-6-one | CHEMBL95604
Type:
Small organic molecule
Emp. Form.:
C18H19N5O2
Mol. Mass.:
337.3758
SMILES:
COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c13
Structure:
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