Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Cytochrome P450 2C9 | ||
Ligand | BDBM50345260 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_752086 (CHEMBL1786250) | ||
IC50 | >10000±n/a nM | ||
Citation | Xiang, Y; Hirth, B; Asmussen, G; Biemann, HP; Bishop, KA; Good, A; Fitzgerald, M; Gladysheva, T; Jain, A; Jancsics, K; Liu, J; Metz, M; Papoulis, A; Skerlj, R; Stepp, JD; Wei, RR The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg Med Chem Lett21:3050-6 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 2C9 | |||
Name: | Cytochrome P450 2C9 | ||
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase | ||
Type: | Enzyme | ||
Mol. Mass.: | 55636.33 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P11712 | ||
Residue: | 490 | ||
Sequence: |
| ||
BDBM50345260 | |||
n/a | |||
Name | BDBM50345260 | ||
Synonyms: | CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5-bromobenzofuran-2-carboxylic acid | ||
Type | Small organic molecule | ||
Emp. Form. | C15H17BrN2O3 | ||
Mol. Mass. | 353.211 | ||
SMILES | N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:1.0,wD:4.7,(48.98,-16.4,;50.31,-15.63,;50.32,-14.09,;51.64,-13.33,;52.97,-14.1,;52.98,-15.64,;51.64,-16.4,;54.3,-13.33,;54.3,-11.79,;52.96,-11.02,;52.97,-9.48,;51.63,-8.71,;54.29,-8.71,;55.63,-9.47,;57.09,-8.99,;58,-10.23,;57.1,-11.48,;55.64,-11.01,;59.54,-10.22,;60.32,-11.55,;60.3,-8.88,)| | ||
Structure |