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Target
Cytochrome P450 2B6
Ligand
BDBM50138819
Substrate
n/a
Meas. Tech.
ChEMBL_1866292 (CHEMBL4367267)
IC50
10000±n/a nM
Citation
 Kumar, S; Waldo, JP; Jaipuri, FA; Marcinowicz, A; Van Allen, C; Adams, J; Kesharwani, T; Zhang, X; Metz, R; Oh, AJ; Harris, SF; Mautino, MR Discovery of Clinical Candidate (1 J Med Chem 62:6705-6733 (2019) [PubMed]  Article 
Target
Name:
Cytochrome P450 2B6
Synonyms:
Cytochrome P450 2B6 (CYP2B6) | CP2B6_HUMAN | CYP2B6
Type:
Protein
Mol. Mass.:
56289.75
Organism:
Human
Description:
P20813
Residue:
491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR
  
Inhibitor
Name:
BDBM50138819
Synonyms:
CHEMBL3753837 | US10233190, Example 1357
Type:
Small organic molecule
Emp. Form.:
C18H21FN2O
Mol. Mass.:
300.16
SMILES:
OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Structure:
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