BDBM279894 US10028961, Compound 41::US10172864, Compound 41::US10946023, Compound 41

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

InChI Key InChIKey=LYMZYGUSADHRMY-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 279894   

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

US Patent
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
Affinity DataIC50: >1.00E+3nMpH: 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 sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
Affinity DataIC50: <1.00E+3nMAssay 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 sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
Affinity DataIC50: >1.00E+3nMAssay 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 sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
Affinity DataIC50:  9nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
Affinity DataIC50:  92nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)
Affinity DataIC50:  4nMAssay 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 sid
In DepthDetails ArticlePubMed