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Target
Cytochrome P450 1A2
Ligand
BDBM50391846
Substrate
n/a
Meas. Tech.
ChEMBL_1563723 (CHEMBL3783934)
IC50
9000±n/a nM
Citation
 Huang, A; Jayaraman, L; Fura, A; Vite, GD; Trainor, GL; Gottardis, MM; Spires, TE; Spires, VM; Rizzo, CA; Obermeier, MT; Elzinga, PA; Todderud, G; Fan, Y; Newitt, JA; Beyer, SM; Zhu, Y; Warrack, BM; Goodenough, AK; Tebben, AJ; Doweyko, AM; Gold, DL; Balog, A Discovery of the Selective CYP17A1 Lyase Inhibitor BMS-351 for the Treatment of Prostate Cancer. ACS Med Chem Lett 7:40-5 (2016) [PubMed]  Article 
Target
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:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50391846
Synonyms:
CHEMBL2147041 | US9133160, 31
Type:
Small organic molecule
Emp. Form.:
C15H12F3N3
Mol. Mass.:
291.2711
SMILES:
Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Structure:
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