| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50448496 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1294677 (CHEMBL3128674) |
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| EC50 | >40000±n/a nM |
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| Citation |  Gentles, RG; Ding, M; Bender, JA; Bergstrom, CP; Grant-Young, K; Hewawasam, P; Hudyma, T; Martin, S; Nickel, A; Regueiro-Ren, A; Tu, Y; Yang, Z; Yeung, KS; Zheng, X; Chao, S; Sun, JH; Beno, BR; Camac, DM; Chang, CH; Gao, M; Morin, PE; Sheriff, S; Tredup, J; Wan, J; Witmer, MR; Xie, D; Hanumegowda, U; Knipe, J; Mosure, K; Santone, KS; Parker, DD; Zhuo, X; Lemm, J; Liu, M; Pelosi, L; Rigat, K; Voss, S; Wang, Y; Wang, YK; Colonno, RJ; Gao, M; Roberts, SB; Gao, Q; Ng, A; Meanwell, NA; Kadow, JF Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem57:1855-79 (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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| BDBM50448496 |
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| n/a |
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| Name | BDBM50448496 |
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| Synonyms: | CHEMBL3126835 |
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| Type | Small organic molecule |
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| Emp. Form. | C36H45N5O5S |
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| Mol. Mass. | 659.838 |
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| SMILES | CCN1CC2CC(C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C |r,TLB:9:8:3.2.7:5,1:2:8:5| |
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| Structure | 
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