BDBM410022 US10370339, Example 2-29

SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O

InChI Key InChIKey=KGEZQDQKTZNUOB-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 410022   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM410022(US10370339, Example 2-29)
Affinity DataIC50: 13nMAssay Description:Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2020
Entry Details
US Patent