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Target
Cytochrome P450 2B6
Ligand
BDBM518192
Substrate
n/a
Meas. Tech.
ChEMBL_2212902 (CHEMBL5125851)
IC50
>25000±n/a nM
Citation
 Nguyen, MH; Atasoylu, O; Wu, L; Kapilashrami, K; Pusey, M; Gallagher, K; Lai, CT; Zhao, P; Barbosa, J; Liu, K; He, C; Zhang, C; Styduhar, ED; Witten, MR; Chen, Y; Lin, L; Yang, YO; Covington, M; Diamond, S; Yeleswaram, S; Yao, W Discovery of Novel Pyrazolopyrimidines as Potent, Selective, and Orally Bioavailable Inhibitors of ALK2. ACS Med Chem Lett 13:1159-1164 (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:
BDBM518192
Synonyms:
US11111247, Example 22
Type:
Small organic molecule
Emp. Form.:
C24H32N8O2
Mol. Mass.:
464.5633
SMILES:
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|
Structure:
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