| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50414954 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_608999 (CHEMBL1073141) |
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| IC50 | 316.23±n/a nM |
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| Citation |  Budzik, BW; Evans, KA; Wisnoski, DD; Jin, J; Rivero, RA; Szewczyk, GR; Jayawickreme, C; Moncol, DL; Yu, H Synthesis and structure-activity relationships of a series of 3-aryl-4-isoxazolecarboxamides as a new class of TGR5 agonists. Bioorg Med Chem Lett20:1363-7 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C19 |
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| Name: | Cytochrome P450 2C19 |
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| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50414954 |
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| n/a |
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| Name | BDBM50414954 |
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| Synonyms: | CHEMBL575966 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H14Cl2N2O2 |
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| Mol. Mass. | 361.222 |
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| SMILES | CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 |
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| Structure | 
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