Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50091324
Substrate
n/a
Meas. Tech.
ChEMBL_1497731 (CHEMBL3582737)
IC50
>100000±n/a nM
Citation
 Ai, Y; Hu, Y; Kang, F; Lai, Y; Jia, Y; Huang, Z; Peng, S; Ji, H; Tian, J; Zhang, Y Synthesis and Biological Evaluation of Novel Olean-28,13ß-lactams as Potential Antiprostate Cancer Agents. J Med Chem 58:4506-20 (2015) [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:
BDBM50091324
Synonyms:
CHEMBL3582240
Type:
Small organic molecule
Emp. Form.:
C37H50N2O3
Mol. Mass.:
570.8045
SMILES:
[H][C@@]12CC(C)(C)CC[C@]11CC[C@]3(C)[C@]2(N(C2CCCCC2)C1=O)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@]2([H])CC[C@@]31C |r,t:29,33,THB:22:21:11.10.9:1,15:14:11.10.9:1|
Structure:
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