| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50326136 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_657965 (CHEMBL1248644) |
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| IC50 | 4000±n/a nM |
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| Citation |  Bromidge, SM; Arban, R; Bertani, B; Bison, S; Borriello, M; Cavanni, P; Dal Forno, G; Di-Fabio, R; Donati, D; Fontana, S; Gianotti, M; Gordon, LJ; Granci, E; Leslie, CP; Moccia, L; Pasquarello, A; Sartori, I; Sava, A; Watson, JM; Worby, A; Zonzini, L; Zucchelli, V Design and synthesis of novel tricyclic benzoxazines as potent 5-HT(1A/B/D) receptor antagonists leading to the discovery of 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (GSK588045). J Med Chem53:5827-43 (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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| BDBM50326136 |
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| n/a |
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| Name | BDBM50326136 |
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| Synonyms: | 1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazin-3-yl)ethanone O-methyl oxime | CHEMBL1241737 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H32N6O2 |
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| Mol. Mass. | 496.6034 |
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| SMILES | CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 |
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| Structure | 
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