Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50389154 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1616178 (CHEMBL3858247) |
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IC50 | >10000±n/a nM |
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Citation | Ott, GR; Cheng, M; Learn, KS; Wagner, J; Gingrich, DE; Lisko, JG; Curry, M; Mesaros, EF; Ghose, AK; Quail, MR; Wan, W; Lu, L; Dobrzanski, P; Albom, MS; Angeles, TS; Wells-Knecht, K; Huang, Z; Aimone, LD; Bruckheimer, E; Anderson, N; Friedman, J; Fernandez, SV; Ator, MA; Ruggeri, BA; Dorsey, BD Discovery of Clinical Candidate CEP-37440, a Selective Inhibitor of Focal Adhesion Kinase (FAK) and Anaplastic Lymphoma Kinase (ALK). J Med Chem59:7478-96 (2016) [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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BDBM50389154 |
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n/a |
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Name | BDBM50389154 |
Synonyms: | CHEMBL2064666 |
Type | Small organic molecule |
Emp. Form. | C28H35ClN6O3 |
Mol. Mass. | 539.069 |
SMILES | COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| |
Structure |
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