Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50228552
Substrate
n/a
Meas. Tech.
ChEMBL_452857 (CHEMBL903100)
IC50
>100000±n/a nM
Citation
 Procopiou, PA; Ancliff, RA; Bamford, MJ; Browning, C; Connor, H; Davies, S; Fogden, YC; Hodgson, ST; Holmes, DS; Looker, BE; Morriss, KM; Parr, CA; Pickup, EA; Sehmi, SS; White, GV; Watts, CJ; Wilson, DM; Woodrow, MD 4-acyl-1-(4-aminoalkoxyphenyl)-2-ketopiperazines as a novel class of non-brain-penetrant histamine H3 receptor antagonists. J Med Chem 50:6706-17 (2007) [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:
BDBM50228552
Synonyms:
4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)piperazine-4-carbonyl)benzonitrile hydrochloride | CHEMBL534958
Type:
Small organic molecule
Emp. Form.:
C26H30N4O3
Mol. Mass.:
446.5414
SMILES:
O=C(N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(cc1)C#N
Structure:
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