Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50332181
Substrate
n/a
Meas. Tech.
ChEMBL_687952 (CHEMBL1291624)
IC50
40000±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:
BDBM50332181
Synonyms:
2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile | CHEMBL1288165 | NSC-332172
Type:
Small organic molecule
Emp. Form.:
C19H19NO4
Mol. Mass.:
325.3585
SMILES:
COc1ccc(cc1)C(=C/c1cc(OC)c(OC)c(OC)c1)\C#N
Structure:
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