BDBM390522 US9957235, 2-170::US9957235, 2-170-1::US9957235, 2-170-2::US9957235, 2-178

SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(O)=O)nc2cc1CCC(O)=O

InChI Key InChIKey=IUJCCIXEWIUFEB-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 390522   

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

US Patent
LigandPNGBDBM390522(US9957235, 2-170-2 | US9957235, 2-178 | US9957235,...)
Affinity DataIC50: 8nMAssay Description:mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM390522(US9957235, 2-170-2 | US9957235, 2-178 | US9957235,...)
Affinity DataIC50: 9nMAssay Description:mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM390522(US9957235, 2-170-2 | US9957235, 2-178 | US9957235,...)
Affinity DataIC50: 20nMAssay Description:mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM390522(US9957235, 2-170-2 | US9957235, 2-178 | US9957235,...)
Affinity DataIC50: 500nMAssay Description:mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent