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Target
Cytochrome P450 2B6
Ligand
BDBM124951
Substrate
n/a
Meas. Tech.
ChEMBL_1930558 (CHEMBL4433809)
IC50
>31000±n/a nM
Citation
 Papeo, G; Orsini, P; Avanzi, NR; Borghi, D; Casale, E; Ciomei, M; Cirla, A; Desperati, V; Donati, D; Felder, ER; Galvani, A; Guanci, M; Isacchi, A; Posteri, H; Rainoldi, S; Riccardi-Sirtori, F; Scolaro, A; Montagnoli, A Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515. ACS Med Chem Lett 10:534-538 (2019) [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:
BDBM124951
Synonyms:
US8765972, 4
Type:
Small organic molecule
Emp. Form.:
C21H29N3O2
Mol. Mass.:
355.4739
SMILES:
C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O |r|
Structure:
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