BDBM279855 US10028961, Compound 2::US10172864, Compound 2::US10946023, Compound 2

SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1

InChI Key InChIKey=KRSKURCJOGAEOS-GHMZBOCLSA-N

Data  13 IC50

PDB links: 1 PDB ID matches this monomer.

  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 13 hits for monomerid = 279855   

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

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50: <50nMpH: 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
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50: <50nMpH: 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
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
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 sidPDB
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50: <50nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50: <50nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
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 sidPDB
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
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 sidPDB
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50:  14nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin) transfected using lentiviral expression system in human U87MG cells assessed as reduction in 2-HG co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50:  48nMAssay Description:Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50:  22nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50: <50nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50: <50nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)
Affinity DataIC50:  2nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB