| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member A1 |
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| Ligand | BDBM50038843 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_640041 (CHEMBL1174255) |
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| IC50 | 6.7±n/a nM |
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| Citation |  Endo, S; Matsunaga, T; Kuwata, K; Zhao, HT; El-Kabbani, O; Kitade, Y; Hara, A Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10. Bioorg Med Chem18:2485-90 (2010) [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 A1 |
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| Name: | Aldo-keto reductase family 1 member A1 |
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| Synonyms: | AK1A1_HUMAN | AKR1A1 | ALDR1 | ALR | Alcohol dehydrogenase [NADP+] | Aldehyde Reductase (ALR1) | Aldehyde reductase | Aldo-keto reductase family 1 member A1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 36574.11 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 325 |
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| Sequence: | MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAVKYALSVGYRHIDCAAIYGNEPEIGEAL
KEDVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFER
GDNPFPKNADGTICYDSTHYKETWKALEALVAKGLVQALGLSNFNSRQIDDILSVASVRP
AVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPDEPVLLEEPVVLALAEK
YGRSPAQILLRWQVQRKVICIPKSITPSRILQNIKVFDFTFSPEEMKQLNALNKNWRYIV
PMLTVDGKRVPRDAGHPLYPFNDPY
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| BDBM50038843 |
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| n/a |
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| Name | BDBM50038843 |
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| Synonyms: | (4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone | (4R)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-2,3-dihydro-1H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone | 2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone | 2-(4-bromo-2-fluorobenzyl)-6-fluorospiro[1,2,3,4-tetrahydroisoquinoline-4,3'-(tetrahydro-1'H-pyrrole)]-1,2',3,5'-tetraone | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | CHEMBL292963 | minalrestat |
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| Type | Small organic molecule |
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| Emp. Form. | C19H11BrF2N2O4 |
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| Mol. Mass. | 449.202 |
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| SMILES | Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r| |
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| Structure | 
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