| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50418124 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_741381 (CHEMBL1764907) |
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| IC50 | <3162±n/a nM |
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| Citation |  Evans, KA; Shearer, BG; Wisnoski, DD; Shi, D; Sparks, SM; Sternbach, DD; Winegar, DA; Billin, AN; Britt, C; Way, JM; Epperly, AH; Leesnitzer, LM; Merrihew, RV; Xu, RX; Lambert, MH; Jin, J Phenoxyacetic acids as PPARd partial agonists: synthesis, optimization, and in vivo efficacy. Bioorg Med Chem Lett21:2345-50 (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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM50418124 |
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| n/a |
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| Name | BDBM50418124 |
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| Synonyms: | CHEMBL1760428 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H29ClF3NO5S |
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| Mol. Mass. | 584.047 |
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| SMILES | CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C |
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| Structure | 
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