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Target
Cytochrome P450 1A2
Ligand
BDBM50438762
Substrate
n/a
Meas. Tech.
ChEMBL_976811 (CHEMBL2417291)
IC50
>10000±n/a nM
Citation
 Oehlrich, D; Rombouts, FJ; Berthelot, D; Bischoff, FP; De Cleyn, MA; Jaroskova, L; Macdonald, G; Mercken, M; Surkyn, M; Trabanco, AA; Tresadern, G; Van Brandt, S; Velter, AI; Wu, T; Gijsen, HJ Design and synthesis of bicyclic heterocycles as potent¿-secretase modulators. Bioorg Med Chem Lett 23:4794-800 (2013) [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:
BDBM50438762
Synonyms:
CHEMBL2415095
Type:
Small organic molecule
Emp. Form.:
C24H24FN5O
Mol. Mass.:
417.4787
SMILES:
COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccc(F)cc1C |r|
Structure:
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