Compile Data Set for Download or QSAR
Report error Found 20 Enz. Inhib. hit(s) for PDB: 5DE1
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132G](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 2.90nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells in presence of alpha-ketoglutarate and NADPH by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 3.80nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) using alphaKG as substrate after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132C mutant expressed in Escherichia coli Rosetta2 (DE3) in presence of alpha-ketoglutarate and NADP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 3.80nMAssay Description:Compound 1 was not initially reported as having the greatest biochemical potency compared to reports for certain other small molecule inhibitors of m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2023
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of wildtype human recombinant IDH1 R132H mutant heterodimer in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 4.60nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 4.80nMAssay Description:The cellular potency of Compound 1 in suppressing intracellular 2-HG levels was determined in cell lines expressing five different mutated IDH-1 prot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 4.80nMAssay Description:Please see paper.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 4.80nMAssay Description:Compound 1 was not initially reported as having the greatest biochemical potency compared to reports for certain other small molecule inhibitors of m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2023
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 9nMAssay Description:Inhibition of IDH1 RI32C mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 15nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 17nMAssay Description:Inhibition of IDH1 R132G mutant (unknown origin) using alphaKG as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 46nMT: 2°CAssay Description:For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataEC50:  85nMAssay Description:Inhibition of IDH1 RI32C mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 970nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 2.89E+3nMAssay Description:The cellular potency of Compound 1 in suppressing intracellular 2-HG levels was determined in cell lines expressing five different mutated IDH-1 prot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11376246, Cpd ID GSK321 | US11576906, C...)
Affinity DataIC50: 2.89E+3nMAssay Description:Please see paper.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)