Reaction Details |
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Target | NAD(P)H dehydrogenase [quinone] 1 |
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Ligand | BDBM35529 |
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Substrate/Competitor | BDBM24778 |
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Meas. Tech. | Inhibition of NQO1 (With 2 uM BSA) |
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pH | 7.5±n/a |
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Temperature | 298.15±n/a K |
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IC50 | 790±355 nM |
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Citation | Nolan, KA; Doncaster, JR; Dunstan, MS; Scott, KA; Frenkel, AD; Siegel, D; Ross, D; Barnes, J; Levy, C; Leys, D; Whitehead, RC; Stratford, IJ; Bryce, RA Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J Med Chem52:7142-56 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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BDBM35529 |
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BDBM24778 |
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Name | BDBM35529 |
Synonyms: | symmetric dicoumarol analogue, 5 |
Type | Small organic molecule |
Emp. Form. | C21H16O8 |
Mol. Mass. | 396.3469 |
SMILES | COc1ccc2c(O)c(Cc3c(O)c4ccc(OC)cc4oc3=O)c(=O)oc2c1 |
Structure |
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