BDBM280065 US10028961, Compound 218::US10172864, Compound 218::US10946023, Compound 218

SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1

InChI Key InChIKey=NAVGNOHPZVGLBF-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 280065   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280065(US10028961, Compound 218 | US10172864, Compound 21...)
Affinity DataIC50: 50nMpH: 6.5 T: 2°CAssay Description:In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280065(US10028961, Compound 218 | US10172864, Compound 21...)
Affinity DataIC50: 50nMpH: 7.5 T: 2°CAssay Description:Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280065(US10028961, Compound 218 | US10172864, Compound 21...)
Affinity DataIC50: 50nMAssay Description:Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280065(US10028961, Compound 218 | US10172864, Compound 21...)
Affinity DataIC50: 50nMAssay Description:In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280065(US10028961, Compound 218 | US10172864, Compound 21...)
Affinity DataIC50: 50nMAssay Description:Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280065(US10028961, Compound 218 | US10172864, Compound 21...)
Affinity DataIC50: 50nMAssay Description:In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent