BDBM50465384 CHEMBL4282663

SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N

InChI Key InChIKey=PWXAIRIXMQTTSE-UHFFFAOYSA-N

Data  14 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 14 hits for monomerid = 50465384   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 3nMAssay Description:Inhibition of IDH1 R132H mutant in human Neurospheres assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 5nMAssay Description:Inhibition of wild type IDH1/IDH1 R132H mutant heterodimer (unknown origin) after 16 hrs in presence of NADPH by diaphorase/resazurin coupled fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 8nMAssay Description:Inhibition of IDH1 R132G mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 8nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 12nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 12nMAssay Description:Inhibition of wild type IDH1/IDH1 R132H mutant heterodimer (unknown origin) after 60 mins in presence of NADPH by diaphorase/resazurin coupled fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 12nMAssay Description:Inhibition of IDH1 R132S mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 12nMAssay Description:Inhibition of IDH1 R132S mutant in human HCCC-9810 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 13nMAssay Description:Inhibition of IDH1 R132L mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 13nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 15nMAssay Description:Inhibition of IDH1 R132C mutant in human COR-L105 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 19nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in human U87MG cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 24nMAssay Description:Inhibition of wild type IDH1 (unknown origin) using DL-isocitrate as substrate after 16 hrs in presence of NADPH by diaphorase/resazurin coupled fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465384(CHEMBL4282663)
Affinity DataIC50: 71nMAssay Description:Inhibition of wild type IDH1 (unknown origin) using DL-isocitrate as substrate after 60 mins in presence of NADPH by diaphorase/resazurin coupled flu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed