Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50332185
Substrate
n/a
Meas. Tech.
ChEMBL_687952 (CHEMBL1291624)
IC50
55000±n/a nM
Citation
 Nolan, KA; Caraher, MC; Humphries, MP; Bettley, HA; Bryce, RA; Stratford, IJ In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett 20:7331-6 (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:
BDBM50332185
Synonyms:
5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole | CHEMBL1287924 | NSC-648422
Type:
Small organic molecule
Emp. Form.:
C19H20O5
Mol. Mass.:
328.3591
SMILES:
COc1cc(\C=C(/C)c2ccc3OCOc3c2)cc(OC)c1OC
Structure:
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