BDBM280239 US10028961, Compound 398::US10946023, Compound 398

SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(c2)C#N)nc(n1)-c1cccc(n1)C(C)(F)F

InChI Key InChIKey=VGNMNCNZHVXSEG-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 280239   

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

US Patent
LigandPNGBDBM280239(US10028961, Compound 398 | US10946023, Compound 39...)
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
LigandPNGBDBM280239(US10028961, Compound 398 | US10946023, Compound 39...)
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
LigandPNGBDBM280239(US10028961, Compound 398 | US10946023, Compound 39...)
Affinity DataIC50: 550nMAssay 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

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

US Patent
LigandPNGBDBM280239(US10028961, Compound 398 | US10946023, Compound 39...)
Affinity DataIC50: 550nMpH: 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