BDBM280076 US10028961, Compound 229::US10172864, Compound 229

SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1

InChI Key InChIKey=QOYBVQHDVXHECC-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 280076   

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
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
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
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
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
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 Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
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 Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
Affinity DataIC50: 75nMpH: 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
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
Affinity DataIC50: 75nMAssay 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
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
Affinity DataIC50: 550nMpH: 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
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280076(US10028961, Compound 229 | US10172864, Compound 22...)
Affinity DataIC50: 550nMAssay 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 Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent