Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50391758 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_849688 (CHEMBL2150363) |
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IC50 | >35000±n/a nM |
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Citation | Peng, H; Talreja, T; Xin, Z; Cuervo, JH; Kumaravel, G; Humora, MJ; Xu, L; Rohde, E; Gan, L; Jung, MY; Shackett, MN; Chollate, S; Dunah, AW; Snodgrass-Belt, PA; Arnold, HM; Taveras, AG; Rhodes, KJ; Scannevin, RH Discovery of BIIB042, a Potent, Selective, and Orally Bioavailable ¿-Secretase Modulator. ACS Med Chem Lett2:786-791 (2011) [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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BDBM50391758 |
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n/a |
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Name | BDBM50391758 |
Synonyms: | CHEMBL2146750 |
Type | Small organic molecule |
Emp. Form. | C29H29F4NO2 |
Mol. Mass. | 499.5397 |
SMILES | C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| |
Structure |
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