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Target
Cytochrome P450 1A2
Ligand
BDBM50522626
Substrate
n/a
Meas. Tech.
ChEMBL_1887241 (CHEMBL4388918)
IC50
>10000±n/a nM
Citation
 Bischoff, FP; Velter, AI; Minne, G; Pieters, S; Berthelot, D; De Cleyn, M; Gijsen, HJM; Macdonald, G; Surkyn, M; Van Brandt, S; Van Roosbroeck, Y; Zavattaro, C; Mercken, M; Austin, N; Dhuyvetter, D; Borghys, H; Ahmad, I; Samanta, SK Design and synthesis of a novel series of cyanoindole derivatives as potent ?-secretase modulators. Bioorg Med Chem Lett 29:1737-1745 (2019) [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:
Human
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50522626
Synonyms:
CHEMBL4451760
Type:
Small organic molecule
Emp. Form.:
C23H19FN4O2
Mol. Mass.:
402.421
SMILES:
COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r|
Structure:
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