BDBM279961 US10028961, Compound 114::US10172864, Compound 114::US10946023, Compound 114

SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1csc(n1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=ZNKBYOAOGUGDDM-RFZPGFLSSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 279961   

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

US Patent
LigandPNGBDBM279961(US10028961, Compound 114 | US10172864, Compound 11...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279961(US10028961, Compound 114 | US10172864, Compound 11...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279961(US10028961, Compound 114 | US10172864, Compound 11...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279961(US10028961, Compound 114 | US10172864, Compound 11...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279961(US10028961, Compound 114 | US10172864, Compound 11...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279961(US10028961, Compound 114 | US10172864, Compound 11...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent