Reaction Details Report a problem with these data
Target
Cytochrome P450 2B6
Ligand
BDBM12341
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
IC50
52200±n/a nM
Comments
extracted
Citation
 Cashman, JR Synthetic compounds and methods to decrease nicotine self-administration US Patent  US8906943 Publication Date 12/9/2014 
Target
Name:
Cytochrome P450 2B6
Synonyms:
CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6)
Type:
Protein
Mol. Mass.:
56289.75
Organism:
Homo sapiens (Human)
Description:
P20813
Residue:
491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR
  
Inhibitor
Name:
BDBM12341
Synonyms:
CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US8609708, 31 | [5-(pyridin-3-yl)thiophen-2-yl]methanamine | nicotine 3-heteroaromatic analogue 1a
Type:
Small organic molecule
Emp. Form.:
C10H10N2S
Mol. Mass.:
190.265
SMILES:
NCc1ccc(s1)-c1cccnc1
Structure:
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