BDBM50279397 CHEMBL4169151::US11311527, Cpd ID IDH889::US11376246, Cpd ID IDH889::US11576906, Compound IDH889

SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1

InChI Key InChIKey=JDCYIMQAIKEACU-HNAYVOBHSA-N

Data  13 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50279397   

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

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  20nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  20nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  14nMAssay Description:Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG level after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  20nMAssay Description:Please see paper.More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  4.50E+3nMAssay Description:Please see paper.More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  20nMAssay 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(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132C mutant expressed in Escherichia coli Rosetta2 (DE3) measured after 45 mins in presence of alpha...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  20nMAssay 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
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  72nMAssay 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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  1.38E+3nMAssay Description:Inhibition of wild type human IDH1 measured after 2 hrs in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assayMore data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  14nMAssay Description:Inhibition of IDH1 R132H mutant expressed in human HCT-116 cells assessed as effect on intracellular 2-HG level incubated for 48 hrs by LC/MS/MS anal...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132H mutant expressed in Escherichia coli Rosetta2 (DE3) assessed as effect on intracellular 2-HG le...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM50279397(CHEMBL4169151 | US11311527, Cpd ID IDH889 | US1137...)
Affinity DataIC50:  4.50E+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