Reaction Details Report a problem with these data
Target
Cytochrome P450 2B1
Ligand
BDBM50404890
Substrate
n/a
Meas. Tech.
ChEMBL_35524 (CHEMBL644757)
IC50
158489.32±n/a nM
Citation
 Murray, M; Ryan, AJ; Little, PJ Inhibition of rat hepatic microsomal aminopyrine N-demethylase activity by benzimidazole derivatives. Quantitative structure-activity relationships. J Med Chem 25:887-92 (1982) [PubMed]  Article 
Target
Name:
Cytochrome P450 2B1
Synonyms:
CP2B1_RAT | Cyp2b-1 | Cyp2b1
Type:
PROTEIN
Mol. Mass.:
55940.51
Organism:
Rattus norvegicus
Description:
ChEMBL_774167
Residue:
491
Sequence:
MEPTILLLLALLVGFLLLLVRGHPKSRGNFPPGPRPLPLLGNLLQLDRGGLLNSFMQLREKYGDVFTVHLGPRPVVMLCGTDTIKEALVGQAEDFSGRGTIAVIEPIFKEYGVIFANGERWKALRRFSLATMRDFGMGKRSVEERIQEEAQCLVEELRKSQGAPLDPTFLFQCITANIICSIVFGERFDYTDRQFLRLLELFYRTFSLLSSFSSQVFEFFSGFLKYFPGAHRQISKNLQEILDYIGHIVEKHRATLDPSAPRDFIDTYLLRMEKEKSNHHTEFHHENLMISLLSLFFAGTETSSTTLRYGFLLMLKYPHVAEKVQKEIDQVIGSHRLPTLDDRSKMPYTDAVIHEIQRFSDLVPIGVPHRVTKDTMFRGYLLPKNTEVYPILSSALHDPQYFDHPDSFNPEHFLDANGALKKSEAFMPFSTGKRICLGEGIARNELFLFFTTILQNFSVSSHLAPKDIDLTPKESGIGKIPPTYQICFSAR
  
Inhibitor
Name:
BDBM50404890
Synonyms:
CHEMBL170632
Type:
Small organic molecule
Emp. Form.:
C14H19N3O
Mol. Mass.:
245.3202
SMILES:
CCCCCc1nc2ccc(NC(C)=O)cc2[nH]1
Structure:
Search PDB for entries with ligand similarity: