BDBM247580 US10112931, Example 159::US9434719, 159::US9688672, Example 159

SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(cc2)C(C)C)ncc1F

InChI Key InChIKey=YFKNDHLPDVXSMU-QQGYXAEISA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 247580   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM247580(US10112931, Example 159 | US9434719, 159 | US96886...)
Affinity DataIC50: <15.9nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM247580(US10112931, Example 159 | US9434719, 159 | US96886...)
Affinity DataIC50:  6nMpH: 7.4 T: 2°CAssay Description:The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM247580(US10112931, Example 159 | US9434719, 159 | US96886...)
Affinity DataIC50:  6nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM247580(US10112931, Example 159 | US9434719, 159 | US96886...)
Affinity DataIC50:  4.37E+3nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM247580(US10112931, Example 159 | US9434719, 159 | US96886...)
Affinity DataIC50: <15.9nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM247580(US10112931, Example 159 | US9434719, 159 | US96886...)
Affinity DataIC50: <16nMpH: 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 pho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent