Reaction Details Report a problem with these data
Target
Cytochrome P450 2B6
Ligand
BDBM12370
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
IC50
66400±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:
BDBM12370
Synonyms:
(3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3-(3-pyridyl)-1H-pyrazol-5-yl]methylamine;hydrochloride | [3-(pyridin-3-yl)-1H-pyrazol-5-yl]methanamine | nicotine 3-heteroaromatic analogue 32
Type:
Small organic molecule
Emp. Form.:
C9H10N4
Mol. Mass.:
174.2025
SMILES:
NCc1cc(n[nH]1)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: