Reaction Details |
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Target | Aldo-keto reductase family 1 member B1 |
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Ligand | BDBM50059989 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1670575 (CHEMBL4020463) |
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IC50 | 5100±n/a nM |
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Citation | Endo, S; Xia, S; Suyama, M; Morikawa, Y; Oguri, H; Hu, D; Ao, Y; Takahara, S; Horino, Y; Hayakawa, Y; Watanabe, Y; Gouda, H; Hara, A; Kuwata, K; Toyooka, N; Matsunaga, T; Ikari, A Synthesis of Potent and Selective Inhibitors of Aldo-Keto Reductase 1B10 and Their Efficacy against Proliferation, Metastasis, and Cisplatin Resistance of Lung Cancer Cells. J Med Chem60:8441-8455 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldo-keto reductase family 1 member B1 |
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Name: | Aldo-keto reductase family 1 member B1 |
Synonyms: | AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR) |
Type: | Protein |
Mol. Mass.: | 35855.50 |
Organism: | Homo sapiens (Human) |
Description: | P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0 |
Residue: | 316 |
Sequence: | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
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BDBM50059989 |
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n/a |
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Name | BDBM50059989 |
Synonyms: | (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one | (1E,6E)-1,7-Bis-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione | 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione | 1,7-bis(4-hydroxyphenyl)-3-hydroxy-1,3,6-heptatrien-5-one | 5-Hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one | 5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one | CHEMBL105350 | CHEMBL131770 | bis-demethoxycurcumin | cid_5324473 | curcumin III |
Type | Small organic molecule |
Emp. Form. | C19H16O4 |
Mol. Mass. | 308.3279 |
SMILES | Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| |
Structure |
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