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Target
Cytochrome P450 2B6
Ligand
BDBM50209508
Substrate
n/a
Meas. Tech.
ChEMBL_443553 (CHEMBL893810)
IC50
100000±n/a nM
Citation
 Labrie, P; Maddaford, SP; Lacroix, J; Catalano, C; Lee, DK; Rakhit, S; Gaudreault, RC In vitro activity of novel dual action MDR anthranilamide modulators with inhibitory activity on CYP-450 (Part 2). Bioorg Med Chem 15:3854-68 (2007) [PubMed]  Article 
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:
BDBM50209508
Synonyms:
CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)piperazin-1-yl)phenylcarbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C38H39N5O6
Mol. Mass.:
661.7462
SMILES:
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
Structure:
Search PDB for entries with ligand similarity: