| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50332645 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_697950 (CHEMBL1633010) |
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| IC50 | 20300±n/a nM |
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| Citation |  Tyagarajan, S; Chakravarty, PK; Zhou, B; Taylor, B; Eid, R; Fisher, MH; Parsons, WH; Wyvratt, MJ; Lyons, KA; Klatt, T; Li, X; Kumar, S; Williams, B; Felix, J; Priest, BT; Brochu, RM; Warren, V; Smith, M; Garcia, M; Kaczorowski, GJ; Martin, WJ; Abbadie, C; McGowan, E; Jochnowitz, N; Weber, A; Duffy, JL Discovery of a novel class of biphenyl pyrazole sodium channel blockers for treatment of neuropathic pain. Bioorg Med Chem Lett20:7479-82 (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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| BDBM50332645 |
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| n/a |
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| Name | BDBM50332645 |
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| Synonyms: | 1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-1H-pyrazole-3,5-dicarboxamide | CHEMBL1631095 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H12F6N4O2 |
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| Mol. Mass. | 442.3146 |
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| SMILES | NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F |
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| Structure | 
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