BDBM50648277 CHEMBL5612245

SMILES COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCNCC3)n2)cc1CC=C(C)C

InChI Key

  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 5 hits for monomerid = 50648277   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataEC50:  84nMAssay Description:Inhibition of IDH1 R132C mutant in human HT-1080 cells assessed as reduction in 2-HG level incubated for 48 hrs in presence of NAD+ by resazurin fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataIC50: 96nMAssay Description:Inhibition of recombinant human IDH1 R132C mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate incubated f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataIC50: 124nMAssay Description:Inhibition of recombinant human IDH1 R132H mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate incubated f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataEC50:  182nMAssay Description:Inhibition of IDH1 R132H mutant in human U-87 MG cells assessed as reduction in 2-HG level incubated for 48 hrs in presence of NAD+ by resazurin fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chongqing Medical University

Curated by ChEMBL
LigandPNGBDBM50648277(CHEMBL5612245)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human wildtype IDH1 extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate incubated for 6...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed