BDBM363689 US10640534, Compound 176::US10682352, Compound AG120::US10717764, Compound 176::US11021515, Compound 176::US11311527, Cpd ID AG-120::US11376246, Cpd ID AG-120::US11576906, Compound AG-120::US11667673, Compound 176::US9850277, Compound 176
SMILES c1ccc(c(c1)[C@@H](C(=O)NC2CC(C2)(F)F)N(c3cc(cnc3)F)C(=O)[C@@H]4CCC(=O)N4c5cc(ccn5)C#N)Cl
InChI Key InChIKey=WIJZXSAJMHAVGX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 54 hits for monomerid = 363689
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 19nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay 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: 13nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using DL-isocitrste as substrate assesse...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 4.90nMAssay Description:Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using 2OG as substrate assessed as 2...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 420nMAssay Description:Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant ...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 490nMAssay Description:Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation const...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 1.00E+4nMAssay Description:Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant ...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 9.00E+3nMAssay Description:Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation const...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 9.70E+3nMAssay Description:Binding affinity to human recombinant IDH1 expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-denaturing ma...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 1.10E+4nMAssay Description:Binding affinity to human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 4.5nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 50nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as inhibition of 2-HG generation measured after 48 hrs by LC-MS/...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate meas...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild type IDH2 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate meas...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 7.5nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate productionMore data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 19nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 100nMAssay Description:Measurements were performed in a reaction volume of 15 uL using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 uM peptide substrate were ...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 25nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-HG production incubated with compound for 48 hrs by D2HG assay kit b...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 3.5nMAssay Description:Inhibition of recombinant human C-terminal His8-tagged IDH1 R132H mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant human C-terminal His8-tagged IDH1 R132C mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 65nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 63nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataEC50: 12nMAssay Description:Inhibition of C-terminal NanoLuc 86b-tagged IDH1 R132H (unknown origin) expressed in HEK293T cells assessed as increase in thermal stability by measu...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataEC50: 27nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in human U87 cells assessed as R-2-hydroxyglutarate production after 48 hrs by LC-MS analy...More data for this Ligand-Target Pair

3D Structure (crystal)