Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50304977 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_606892 (CHEMBL1072635) |
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IC50 | 680±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 |
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: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50304977 |
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n/a |
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Name | BDBM50304977 |
Synonyms: | (S)-methyl 3-((3-chloro-4-cyanophenyl)(2-methylbenzyl)amino)pyrrolidine-1-carboxylate | CHEMBL592016 |
Type | Small organic molecule |
Emp. Form. | C21H22ClN3O2 |
Mol. Mass. | 383.871 |
SMILES | COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| |
Structure |
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