null

SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1

InChI Key InChIKey=GJNPRCBREKXFRM-UHFFFAOYSA-N

  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 15 hits for monomerid = 279996   

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

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2ZW1NXMUS Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2S46W3HUS Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2ZW1NXMUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
Affinity DataIC50: 50nMpH: 7.5 T: 2°CAssay 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
BindingDB Entry DOI: 10.7270/Q2ZW1NXMUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2ZK5JQ3US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2ZK5JQ3US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2ZK5JQ3US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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 sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZK5JQ3US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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 sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S46W3HUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2S46W3HUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2S46W3HUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2ZW1NXMUS Patent