BDBM50434278 CHEMBL2386126

SMILES CC1=CC(=O)N(C(=C1)Cc2ccccc2)O

InChI Key InChIKey=AVLZAVSZOAQKRC-UHFFFAOYSA-N

Data  5 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50434278   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in D2HG production incubated for 48 hrs by HPLC-MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataIC50: 120nMAssay Description:Inhibition of human N-terminal Strep-tagged IDH1 R132C mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataIC50: 190nMAssay Description:Inhibition of human N-terminal Strep-tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using DL-isocitrste as substrate assesse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using 2OG as substrate assessed as 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataKi:  120nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataKi:  190nMAssay Description:Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumptionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataKi:  1.05E+4nMAssay Description:Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumptionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataKi:  1.23E+4nMAssay Description:Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 using alpha-ketoglutarate as substrate incubated for 5 mins prior to...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50434278(CHEMBL2386126)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of wild type human IDH1 expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumptionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)