| Reaction Details |
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 | Report a problem with these data |
| Target | NAD(P)H dehydrogenase [quinone] 1 |
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| Ligand | BDBM50332182 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_687952 (CHEMBL1291624) |
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| IC50 | 80000±n/a nM |
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| 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 Lett20:7331-6 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| NAD(P)H dehydrogenase [quinone] 1 |
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| Name: | NAD(P)H dehydrogenase [quinone] 1 |
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| 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) |
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| Type: | Homodimer |
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| Mol. Mass.: | 30874.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 274 |
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| Sequence: | MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKL
KDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERV
FIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFC
GFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMK
KEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK
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| BDBM50332182 |
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| n/a |
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| Name | BDBM50332182 |
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| Synonyms: | 4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimethoxyphenyl)vinyl)-2-methoxyphenol | 5-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenol | 5-[2-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenol | CHEMBL419378 | NSC-381864 | US11866416, Example 9 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18O4 |
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| Mol. Mass. | 286.3224 |
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| SMILES | COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1 |
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| Structure | 
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