BDBM145968 US8957068, 3
SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1
InChI Key InChIKey=CUTPLPKYQGWUBC-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 7 hits for monomerid = 145968
Affinity DataIC50: 331nMpH: 7.4 T: 2°CAssay Description:Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 296nMpH: 7.5 T: 2°CAssay Description:The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...More data for this Ligand-Target Pair
Affinity DataIC50: 220nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132H mutant expressed in Escherichia coli Rosetta2 (DE3) measured after 90 mins in presence of alpha...More data for this Ligand-Target Pair
Affinity DataIC50: 660nMAssay Description:Inhibition of IDH1 R132H mutant expressed in human HCT-116 cells assessed as effect on intracellular 2-HG level incubated for 48 hrs by LC/MS/MS anal...More data for this Ligand-Target Pair
Affinity DataIC50: 220nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132H mutant expressed in Escherichia coli Rosetta2 (DE3) assessed as effect on intracellular 2-HG le...More data for this Ligand-Target Pair
Affinity DataIC50: 970nMAssay Description:Inhibition of human wild type IDH1/IDH1 R132H mutant heterodimer in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assayMore data for this Ligand-Target Pair
Affinity DataIC50: 150nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132C mutant expressed in Escherichia coli Rosetta2 (DE3) measured after 45 mins in presence of alpha...More data for this Ligand-Target Pair