Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50193814 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1616177 (CHEMBL3858246) |
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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 1A2 |
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Name: | Cytochrome P450 1A2 |
Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
Type: | Enzyme |
Mol. Mass.: | 58423.38 |
Organism: | Homo sapiens (Human) |
Description: | P05177 |
Residue: | 516 |
Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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BDBM50193814 |
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n/a |
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Name | BDBM50193814 |
Synonyms: | CHEMBL3980825 |
Type | Small organic molecule |
Emp. Form. | C29H38ClN7O2 |
Mol. Mass. | 552.111 |
SMILES | [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| |
Structure |
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