null

SMILES COc1ccccc1[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C

InChI Key InChIKey=KDESFVQFLBRKMV-DZGCQCFKSA-N

  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 4 hits for monomerid = 146055   

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

US Patent
LigandPNGBDBM146055(US8957068, 90)copy SMILEScopy InChI
Affinity DataIC50: 272nMpH: 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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TD9W28US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM146055(US8957068, 90)copy SMILEScopy InChI
Affinity DataIC50: 270nMMore data for this Ligand-Target Pair
In DepthDetails
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM146055(US8957068, 90)copy SMILEScopy InChI
Affinity DataIC50: 520nMMore data for this Ligand-Target Pair
In DepthDetails
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM146055(US8957068, 90)copy SMILEScopy InChI
Affinity DataIC50: 275nMpH: 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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TD9W28US Patent