BDBM50503260 CHEMBL4456610::US11311527, Cpd ID I-27::US11376246, Cpd ID I-27::US11576906, Compound I-27

SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O

InChI Key InChIKey=MWYSDNPPAIJPJV-UHFFFAOYSA-N

Data  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50503260   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 10nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 45 mins by by d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 10nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 45 mins by by d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 17nMAssay 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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 2nMAssay 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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 8nMAssay 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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 24nMAssay 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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Forma Therapeutics

US Patent
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 10nMAssay Description:Please see paper.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2022
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Forma Therapeutics

US Patent
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 100nMAssay Description:Please see paper.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2022
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Forma Therapeutics

US Patent
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
Affinity DataIC50: 10nMAssay 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
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Forma Therapeutics

US Patent
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
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
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Forma Therapeutics

US Patent
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
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 Depth
Date in BDB:
3/31/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Forma Therapeutics

US Patent
LigandPNGBDBM50503260(CHEMBL4456610 | US11376246, Cpd ID I-27 | US115769...)
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
In Depth
Date in BDB:
3/31/2023
Entry Details
Go to US Patent