BDBM280189 US10028961, Compound 347::US10946023, Compound 347

SMILES C[C@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(C)(F)F)C(F)(F)F

InChI Key InChIKey=WLTAGDRBXBZXAG-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 280189   

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

US Patent
LigandPNGBDBM280189(US10028961, Compound 347 | US10946023, Compound 34...)
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
LigandPNGBDBM280189(US10028961, Compound 347 | US10946023, Compound 34...)
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 [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM280189(US10028961, Compound 347 | US10946023, Compound 34...)
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:
9/26/2021
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM280189(US10028961, Compound 347 | US10946023, Compound 34...)
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:
9/26/2021
Entry Details
Go to US Patent