Reaction Details Report a problem with these data
Target
Cytochrome P450 2B1
Ligand
BDBM50240520
Substrate
n/a
Meas. Tech.
ChEMBL_774166 (CHEMBL1908261)
Ki
5800±n/a nM
Citation
 Fontana, E; Dansette, PM; Poli, SM Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab 6:413-54 (2005) [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:
BDBM50240520
Synonyms:
(isothiocyanatomethyl)benzene | BITC, 17 | Benzylsenfoel | CHEMBL55285 | Isothiocyanic acid, benzyl ester | alpha-isothiocyanatotoluene | benzyl isothiocyanate
Type:
Small organic molecule
Emp. Form.:
C8H7NS
Mol. Mass.:
149.213
SMILES:
S=C=NCc1ccccc1
Structure:
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