BDBM50508261 CHEMBL4559482

SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12

InChI Key InChIKey=HLQHDGIQQJCIND-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50508261   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508261(CHEMBL4559482)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508261(CHEMBL4559482)
Affinity DataIC50: 386nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508261(CHEMBL4559482)
Affinity DataIC50: 398nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetHexokinase-4(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508261(CHEMBL4559482)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-fused glucokinase expressed in Escherichia coli using glucose-6-phosphatedehydrogenase as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508261(CHEMBL4559482)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508261(CHEMBL4559482)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed