BDBM390438 US10442772, Example 2-114-2::US9957235, 2-114-1::US9957235, 2-114-2

SMILES COC(=O)CCc1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1

InChI Key InChIKey=DGMNKGJNFMPOBU-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 390438   

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

US Patent
LigandPNGBDBM390438(US9957235, 2-114-2 | US9957235, 2-114-1 | US104427...)
Affinity DataIC50: 290nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM390438(US9957235, 2-114-2 | US9957235, 2-114-1 | US104427...)
Affinity DataIC50: 290nMAssay Description:The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM390438(US9957235, 2-114-2 | US9957235, 2-114-1 | US104427...)
Affinity DataIC50: 300nMAssay Description:The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM390438(US9957235, 2-114-2 | US9957235, 2-114-1 | US104427...)
Affinity DataIC50: 1.73E+3nMAssay Description:The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM390438(US9957235, 2-114-2 | US9957235, 2-114-1 | US104427...)
Affinity DataIC50: 1.73E+3nMAssay 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
Go to US Patent