BDBM195601 GSK321::US11311527, Cpd ID GSK321::US11376246, Cpd ID GSK321::US11576906, Compound GSK321
SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1
InChI Key InChIKey=IVFDDVKCCBDPQZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 20 hits for monomerid = 195601
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
3D Structure (crystal)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
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
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
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
Affinity DataIC50: 2.89E+3nMAssay Description:Please see paper.More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172S](Human)
Albert Einstein College of Medicine
Albert Einstein College of Medicine
Affinity DataIC50: 1.03E+3nMT: 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
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Human)
Albert Einstein College of Medicine
Albert Einstein College of Medicine
Affinity DataIC50: 1.36E+3nMT: 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
Affinity DataIC50: 496nMT: 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
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
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
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