BDBM412531 (3,9-difluoro-8- ((3R,3aR,6R,6aR)-hexahydro- 3,6-epiminofuro[3,2-b]furan-7- yl)-5,11-dihydro-6H- benzo[b]pyrido[2,3- e][1,4]diazepin-6-yl)(1-(2,2,2- trifluoroethyl)piperidin-4- yl)methanone::US10399972, Example 22

SMILES Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23

InChI Key

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 412531   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM412531(US10399972, Example 22 | (3,9-difluoro-8- ((3R,3aR...)
Affinity DataIC50: 4.20nMAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM412531(US10399972, Example 22 | (3,9-difluoro-8- ((3R,3aR...)
Affinity DataIC50: 10nMAssay Description:Inhibition of IDH1 RI32C mutant (unknown origin) by kinase-Glo luminescent assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed