BDBM316458 US10172864, Compound 418::US10946023, Compound 418

SMILES C[C@@H](Nc1cc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1)C(F)(F)F

InChI Key InChIKey=KKGDMBANXIMCDA-SNVBAGLBSA-N

Data  4 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 4 hits for monomerid = 316458   

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

US Patent
LigandPNGBDBM316458(US10172864, Compound 418 | US10946023, Compound 41...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM316458(US10172864, Compound 418 | US10946023, Compound 41...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM316458(US10172864, Compound 418 | US10946023, Compound 41...)
Affinity DataIC50: <50nMAssay Description:Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Agios Pharmaceuticals

US Patent
LigandPNGBDBM316458(US10172864, Compound 418 | US10946023, Compound 41...)
Affinity DataIC50: <50nMAssay Description:Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent