| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50304986 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_606892 (CHEMBL1072635) |
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| IC50 | 440±n/a nM |
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| Citation |  Kallander, LS; Washburn, DG; Hoang, TH; Frazee, JS; Stoy, P; Johnson, L; Lu, Q; Hammond, M; Barton, LS; Patterson, JR; Azzarano, LM; Nagilla, R; Madauss, KP; Williams, SP; Stewart, EL; Duraiswami, C; Grygielko, ET; Xu, X; Laping, NJ; Bray, JD; Thompson, SK Improving the developability profile of pyrrolidine progesterone receptor partial agonists. Bioorg Med Chem Lett20:371-4 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C9 |
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| Name: | Cytochrome P450 2C9 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50304986 |
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| n/a |
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| Name | BDBM50304986 |
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| Synonyms: | (S)-2-chloro-4-((1-pivaloylpyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile | CHEMBL592746 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H25ClF3N3O |
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| Mol. Mass. | 463.923 |
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| SMILES | CC(C)(C)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| |
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| Structure | 
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