Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50390028
Substrate
n/a
Meas. Tech.
ChEMBL_833994 (CHEMBL2072734)
IC50
>11000±n/a nM
Citation
 Packiarajan, M; Mazza Ferreira, CG; Hong, SP; White, AD; Chandrasena, G; Pu, X; Brodbeck, RM; Robichaud, AJ N-Aryl pyrrolidinonyl oxadiazoles as potent mGluR5 positive allosteric modulators. Bioorg Med Chem Lett 22:5658-62 (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:
BDBM50390028
Synonyms:
CHEMBL2069398
Type:
Small organic molecule
Emp. Form.:
C19H16FN3O2
Mol. Mass.:
337.3476
SMILES:
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: