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Target
Cytochrome P450 2B6
Ligand
BDBM50594406
Substrate
n/a
Meas. Tech.
ChEMBL_2212606 (CHEMBL5125555)
IC50
>30000±n/a nM
Citation
 Alford, JS; Lampe, JW; Brach, D; Chesworth, R; Cosmopoulos, K; Duncan, KW; Eckley, ST; Kutok, JL; Raimondi, A; Riera, TV; Shook, B; Tang, C; Totman, J; Farrow, NA Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies. ACS Med Chem Lett 13:1137-1143 (2022) [PubMed] 
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:
BDBM50594406
Synonyms:
EZM-0414 | EZM0414 | Ezm-0414
Type:
Small organic molecule
Emp. Form.:
C22H29FN4O2
Mol. Mass.:
400.4897
SMILES:
CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1
Structure:
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