BDBM279857 BDBM279926::US10028961, Compound 4::US10172864, Compound 76::US10946023, Compound 76

SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key InChIKey=GSAWFHLLQMRJAD-UHFFFAOYSA-N

Data  19 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 19 hits for monomerid = 279857   

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
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 DepthDetails
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
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 DepthDetails
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

Curated by ChEMBL
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 46nMAssay Description:Inhibition of full-length C-terminal His6 tagged IDH2 R140Q mutant (1 to 452 residues) (unknown origin) homodimer expressed in Sf9 cells assessed as ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
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 DepthDetails
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay Description:The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
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 DepthDetails
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
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 DepthDetails
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay Description:The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay Description:The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
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 DepthDetails
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279857(US10028961, Compound 4 | BDBM279926 | US10172864, ...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay Description:The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...More data for this Ligand-Target Pair
In DepthDetails
US Patent