Reaction Details |
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Target | NAD(P)H dehydrogenase [quinone] 1 |
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Ligand | BDBM35525 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_452277 (CHEMBL901432) |
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IC50 | 5±n/a nM |
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Citation | Nolan, KA; Zhao, H; Faulder, PF; Frenkel, AD; Timson, DJ; Siegel, D; Ross, D; Burke, TR; Stratford, IJ; Bryce, RA Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity. J Med Chem50:6316-25 (2007) [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 |
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: | MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKL
KDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERV
FIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFC
GFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMK
KEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK
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BDBM35525 |
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n/a |
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Name | BDBM35525 |
Synonyms: | 3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-methylenebis(4-hydroxycoumarin) | 3,3''''-methylenebis[4-hydroxycoumarin | 4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-2H-chromen-2-one | Bishydroxycoumarin | CHEMBL1466 | DICUMAROL | dicoumarol | symmetric dicoumarol analogue, 1 |
Type | Small organic molecule |
Emp. Form. | C19H12O6 |
Mol. Mass. | 336.295 |
SMILES | Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 |
Structure |
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