Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50326292
Substrate
n/a
Meas. Tech.
ChEMBL_659954 (CHEMBL1247355)
IC50
>100000±n/a nM
Citation
 Ishikawa, M; Watanabe, T; Kudo, T; Yokoyama, F; Yamauchi, M; Kato, K; Kakui, N; Sato, Y Investigation of the histamine H3 receptor binding site. Design and synthesis of hybrid agonists with a lipophilic side chain. J Med Chem 53:6445-56 (2010) [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:
BDBM50326292
Synonyms:
4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)ethyl)piperidine | CHEMBL1243333
Type:
Small organic molecule
Emp. Form.:
C20H29N3S
Mol. Mass.:
343.529
SMILES:
CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Structure:
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