Target
Cytochrome P450 1A2
Ligand
BDBM50047394
Substrate
n/a
Meas. Tech.
ChEMBL_1448465 (CHEMBL3378085)
IC50
6200±n/a nM
Citation
 Turlington, MNoetzel, MJBridges, TMVinson, PNSteckler, TLavreysen, HMackie, CBartolomé-Nebreda, JMConde-Ceide, STong, HMMacdonald, GJDaniels, JSJones, CKNiswender, CMConn, PJLindsley, CWStauffer, SR Discovery and SAR of a novel series of metabotropic glutamate receptor 5 positive allosteric modulators with high ligand efficiency. Bioorg Med Chem Lett 24:3641-6 (2014) [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:
BDBM50047394
Synonyms:
CHEMBL3309848
Type:
Small organic molecule
Emp. Form.:
C14H14N2O2
Mol. Mass.:
242.2732
SMILES:
O=C1CCCn2nc(COc3ccccc3)cc12
Structure:
Search PDB for entries with ligand similarity: