BDBM247819 US10112931, Example 426::US9434719, 426 as TFA salt::US9688672, Example 426

SMILES C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1cn(cn1)-c1ccc(Cl)cc1

InChI Key InChIKey=ISURFSGOOSPXEW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 247819   

LigandPNGBDBM247819(US9688672, Example 426 | US9434719, 426 as TFA sal...)
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
In Depth
Date in BDB:
3/4/2019
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM247819(US9688672, Example 426 | US9434719, 426 as TFA sal...)
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
In Depth
Date in BDB:
9/5/2017
Entry Details
US Patent

LigandPNGBDBM247819(US9688672, Example 426 | US9434719, 426 as TFA sal...)
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
In Depth
Date in BDB:
3/19/2018
Entry Details
US Patent