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.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 279855   

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] 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