BDBM50506474 Ft-2102::Olutasidenib::US11311527, Cpd ID 1::US11376246, Compound 1::US11566013, Compound I-1

SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O

InChI Key InChIKey=NEQYWYXGTJDAKR-JTQLQIEISA-N

Data  32 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50506474   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  21nMAssay Description:Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  114nMAssay 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(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  9nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire hi...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  39nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire hi...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire hi...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  2.73E+4nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  42nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire hi...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  2.24E+4nMAssay Description:Inhibition of wild-type IDH1 (unknown origin)More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  21nMAssay Description:Inhibition of recombinant human Myc-DDK-tagged IDH1 R132H mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  9nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132S mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire hi...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  94nMAssay Description:Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  21.2nMAssay Description:Please see paper.More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  5.22E+3nMAssay Description:Please see paper.More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  21.2nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  5.22E+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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  14.3nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  77nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  12.9nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  67.1nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  1nMAssay 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 [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  5.10nMAssay 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(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  922nMAssay 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], mitochondrial [R172K](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: >1.00E+3nMAssay 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 DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: >4.00E+3nMAssay 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 DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: <10nMAssay 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 [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: <50nMAssay 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 [R132G](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: <50nMAssay 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 [R132L](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: <10nMAssay 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 DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132S](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50: <10nMAssay 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 DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  21.2nMAssay 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(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Affinity DataIC50:  114nMAssay Description:Inhibition of recombinant human Myc-DDK-tagged IDH1 R132C mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair