| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50468128 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1798160 (CHEMBL4270277) |
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| IC50 | >50000±n/a nM |
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| Citation |  Liu, W; Shao, PP; Liang, GB; Bawiec, J; He, J; Aster, SD; Wu, M; Chicchi, G; Wang, J; Tsao, KL; Shang, J; Salituro, G; Zhou, YP; Li, C; Akiyama, TE; Metzger, DE; Murphy, BA; Howard, AD; Weber, AE; Duffy, JL Discovery and Pharmacology of a Novel Somatostatin Subtype 5 (SSTR5) Antagonist: Synergy with DPP-4 Inhibition. ACS Med Chem Lett9:1082-1087 (2018) [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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| BDBM50468128 |
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| n/a |
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| Name | BDBM50468128 |
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| Synonyms: | CHEMBL4282052 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H36F4N2O7 |
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| Mol. Mass. | 660.6525 |
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| SMILES | OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1 |
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| Structure | 
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