BDBM50503254 CHEMBL4550500::US10745383, Example 1

SMILES CCONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key InChIKey=PRTLJYLUVDJKCL-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50503254   

TargetIsocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K](Homo sapiens (Human))
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM50503254(CHEMBL4550500 | US10745383, Example 1)
Affinity DataIC50:  22.4nMAssay Description:The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503254(CHEMBL4550500 | US10745383, Example 1)
Affinity DataIC50: <50nMAssay Description:Inhibition of IDH2 R172K mutant (40 to end residues) (unknown origin) using alpha-KG as substrate after 120 mins in presence of NADPH by resazurin-ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed