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Target
Cytochrome P450 2B6
Ligand
BDBM301310
Substrate
n/a
Meas. Tech.
ChEMBL_2101772 (CHEMBL4810168)
IC50
>25000±n/a nM
Citation
 Wu, L; Zhang, C; He, C; Qian, D; Lu, L; Sun, Y; Xu, M; Zhuo, J; Liu, PCC; Klabe, R; Wynn, R; Covington, M; Gallagher, K; Leffet, L; Bowman, K; Diamond, S; Koblish, H; Zhang, Y; Soloviev, M; Hollis, G; Burn, TC; Scherle, P; Yeleswaram, S; Huber, R; Yao, W Discovery of Pemigatinib: A Potent and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor. J Med Chem 64:10666-10679 (2021) [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:
BDBM301310
Synonyms:
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one | US10131667, Example 126 | US11053246, Example 126 | US11407750, Compound 6 | US9611267, Example 126
Type:
Small organic molecule
Emp. Form.:
C24H27F2N5O4
Mol. Mass.:
487.4991
SMILES:
CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
Structure:
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