BDBM247521 US10112931, Example 59::US9434719, 59::US9688672, Example 59

SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1

InChI Key InChIKey=ABQRTQHBTVLJNQ-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 247521   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 33nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 33nMpH: 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
In Depth
Date in BDB:
9/5/2017
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 33nMpH: 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 Depth
Date in BDB:
3/4/2019
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 79nMpH: 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 Depth
Date in BDB:
3/4/2019
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 82nMpH: 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
In Depth
Date in BDB:
3/19/2018
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 82nMpH: 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 Depth
Date in BDB:
9/5/2017
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 247521BDBM247521(US9688672, Example 59 | US9434719, 59 | US10112931...)
Affinity DataIC50: 102nMAssay Description:Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG level after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2020
Entry Details Article
PubMed