Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50256679 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_519314 (CHEMBL947766) |
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IC50 | 1800±n/a nM |
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Citation | Lyne, PD; Aquila, B; Cook, DJ; Dakin, LA; Ezhuthachan, J; Ioannidis, S; Pontz, T; Su, M; Ye, Q; Zheng, X; Block, MH; Cowen, S; Deegan, TL; Lee, JW; Scott, DA; Custeau, D; Drew, L; Poondru, S; Shen, M; Wu, A Identification of amidoheteroaryls as potent inhibitors of mutant (V600E) B-Raf kinase with in vivo activity. Bioorg Med Chem Lett19:1026-9 (2009) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50256679 |
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n/a |
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Name | BDBM50256679 |
Synonyms: | 5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(5-methylpyridin-3-yl)benzamide | CHEMBL519143 |
Type | Small organic molecule |
Emp. Form. | C25H24N4O2 |
Mol. Mass. | 412.4837 |
SMILES | Cc1cncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)c1 |
Structure |
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