BDBM50550438 CHEMBL4798388

SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1

InChI Key InChIKey=IXFGEDLOELTAGL-UHFFFAOYSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50550438   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 270nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 470nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of wild type IDH1 (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of wild type IDH2 (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of wild type G6PD (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 90nMAssay Description:Inhibition of active recombinant human N-terminal His-tagged 11-betaHSD1 expressed in Escherichia coli using cortisone, NADPH and glucose-6-phosphate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 2.30E+3nMAssay Description:Allosteric inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as reduction in 2-HG production incubated for 48 hrs ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550438(CHEMBL4798388)
Affinity DataIC50: 1.90E+3nMAssay Description:Allosteric inhibition of Myc-tagged IDH1 R132H mutant (unknown origin) expressed in human THP-1 cells assessed as inhibition of 2-HG production incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed