Reaction Details |
| Report a problem with these data |
Target | Aldo-keto reductase family 1 member B1 |
---|
Ligand | BDBM16314 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1670573 (CHEMBL4020461) |
---|
IC50 | 10.0±n/a nM |
---|
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 |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Aldo-keto reductase family 1 member B1 |
---|
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
|
|
|
BDBM16314 |
---|
n/a |
---|
Name | BDBM16314 |
Synonyms: | 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | Alredase | CHEMBL436 | N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Tolrestat |
Type | Small organic molecule |
Emp. Form. | C16H14F3NO3S |
Mol. Mass. | 357.347 |
SMILES | COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O |
Structure |
|