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Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50201786
Substrate
n/a
Meas. Tech.
ChEMBL_1623557 (CHEMBL3865969)
IC50
2400±n/a nM
Citation
 da Cruz, EHG; Silvers, MA; Jardim, GAM; Resende, JM; Cavalcanti, BC; Bomfim, IS; Pessoa, C; de Simone, CA; Botteselle, GV; Braga, AL; Nair, DK; Namboothiri, INN; Boothman, DA; da Silva Júnior, EN Synthesis and antitumor activity of selenium-containing quinone-based triazoles possessing two redox centres, and their mechanistic insights. Eur J Med Chem 122:1-16 (2016) [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:
BDBM50201786
Synonyms:
CHEMBL1098543
Type:
Small organic molecule
Emp. Form.:
C21H18N2O6
Mol. Mass.:
394.3774
SMILES:
COc1ccc(NC2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c(c1)[N+]([O-])=O |c:8|
Structure:
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