| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50338821 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1295002 (CHEMBL3129313) |
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| IC50 | >100000±n/a nM |
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| Citation |  Moyes, CR; Berger, R; Goble, SD; Harper, B; Shen, DM; Wang, L; Bansal, A; Brown, PN; Chen, AS; Dingley, KH; Di Salvo, J; Fitzmaurice, A; Gichuru, LN; Hurley, AL; Jochnowitz, N; Miller, RR; Mistry, S; Nagabukuro, H; Salituro, GM; Sanfiz, A; Stevenson, AS; Villa, K; Zamlynny, B; Struthers, M; Weber, AE; Edmondson, SD Design, synthesis, and evaluation of conformationally restricted acetanilides as potent and selectiveß3 adrenergic receptor agonists for the treatment of overactive bladder. J Med Chem57:1437-53 (2014) [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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| BDBM50338821 |
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| n/a |
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| Name | BDBM50338821 |
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| Synonyms: | 2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)acetamide | CHEMBL1684585 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H26N4O2S |
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| Mol. Mass. | 422.543 |
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| SMILES | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| |
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| Structure | 
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