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Target
Cytochrome P450 2B6
Ligand
BDBM50123453
Substrate
n/a
Meas. Tech.
ChEMBL_1521057 (CHEMBL3624488)
IC50
>50±n/a nM
Citation
 Zeng, Q; Wang, J; Cheng, Z; Chen, K; Johnström, P; Varnäs, K; Li, DY; Yang, ZF; Zhang, X Discovery and Evaluation of Clinical Candidate AZD3759, a Potent, Oral Active, Central Nervous System-Penetrant, Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor. J Med Chem 58:8200-15 (2015) [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:
BDBM50123453
Synonyms:
CHEMBL3623290
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN5O3
Mol. Mass.:
459.901
SMILES:
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C |r|
Structure:
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