BDBM50506480 CHEMBL4437754::US11311527, Cpd ID I-20::US11376246, Cpd ID I-20::US11576906, Compound I-20

SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)n(C)c1=O

InChI Key InChIKey=NSSCFMGYDFCYNL-JTQLQIEISA-N

Data  10 IC50

  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 10 hits for monomerid = 50506480   

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

Curated by ChEMBL
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  11nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  14nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  40nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50: <100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50: <100nMAssay Description:Please see paper.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  55nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50: <100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  55nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50506480(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Affinity DataIC50:  55nMAssay Description:Please see paper.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent