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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C9 | ||
| Ligand | BDBM50589452 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2193607 (CHEMBL5105967) | ||
| IC50 | 10000±n/a nM | ||
| Citation |  Wetzel, EA; Marks, KJ; Gleason, AA; Brown-Ford, S; Reid, TE; Chaudhury, S; Lindeman, S; Sem, DS; Donaldson, WA Discovery of two novel (4-hydroxyphenyl) substituted polycyclic carbocycles as potent and selective estrogen receptor beta agonists. Bioorg Med Chem Lett73:0 (2022) [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: |
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| BDBM50589452 | |||
| n/a | |||
| Name | BDBM50589452 | ||
| Synonyms: | CHEMBL5184751 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C17H22O2 | ||
| Mol. Mass. | 258.3554 | ||
| SMILES | OCC12CC3CC(C1)C(C(C3)C2)c1ccc(O)cc1 |TLB:1:2:5:8.9.10,12:8:5:2.3.7,THB:11:9:5:2.3.7,11:2:5:8.9.10,3:4:8:11.2.7,3:2:8:4.5.10,(4.67,4.29,;3.15,4.05,;2.78,2.55,;4.11,1.87,;3.97,.53,;3.05,-.72,;1.63,-.15,;1.81,1.56,;.11,-.41,;1.02,.84,;2.45,.27,;1.15,2.08,;-1.08,-1.38,;-.84,-2.9,;-2.03,-3.87,;-3.47,-3.32,;-4.67,-4.29,;-3.72,-1.81,;-2.53,-.83,)| | ||
| Structure | 
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