BDBM50503252 CHEMBL4448671::US10745383, Example 4

SMILES FC(F)(F)c1cccc(n1)-c1nc(NOCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1

InChI Key InChIKey=WNPDVNWCMSLRTC-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50503252   

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

US Patent
LigandPNGBDBM50503252(CHEMBL4448671 | US10745383, Example 4)
Affinity DataIC50:  38.2nMAssay 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(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503252(CHEMBL4448671 | US10745383, Example 4)
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