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Target
Cytochrome P450 1A2
Ligand
BDBM50379670
Substrate
n/a
Meas. Tech.
ChEMBL_812031 (CHEMBL2013457)
IC50
3000±n/a nM
Citation
 Davies, DJ; Crowe, M; Lucas, N; Quinn, J; Miller, DD; Pritchard, S; Grose, D; Bettini, E; Calcinaghi, N; Virginio, C; Abberley, L; Goldsmith, P; Michel, AD; Chessell, IP; Kew, JN; Miller, ND; Gunthorpe, MJ A novel series of benzimidazole NR2B-selective NMDA receptor antagonists. Bioorg Med Chem Lett 22:2620-3 (2012) [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:
BDBM50379670
Synonyms:
CHEMBL2013195
Type:
Small organic molecule
Emp. Form.:
C19H21N3O
Mol. Mass.:
307.3895
SMILES:
Oc1ccc2nc([nH]c2c1CN1CCCCC1)-c1ccccc1
Structure:
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