Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50309771
Substrate
n/a
Meas. Tech.
ChEMBL_610871 (CHEMBL1065026)
IC50
107±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:
BDBM50309771
Synonyms:
8-bromo-5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one | CHEMBL598874
Type:
Small organic molecule
Emp. Form.:
C18H17BrN4O
Mol. Mass.:
385.258
SMILES:
CC(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Structure:
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