BDBM50434277 CHEMBL2386127

SMILES CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O

InChI Key InChIKey=ABLXOGHWKHJQAM-UHFFFAOYSA-N

Data  4 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50434277   

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

Curated by ChEMBL
LigandPNGBDBM50434277(CHEMBL2386127)
Affinity DataIC50: 9.70E+3nMAssay 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
LigandPNGBDBM50434277(CHEMBL2386127)
Affinity DataKi:  280nMAssay 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
LigandPNGBDBM50434277(CHEMBL2386127)
Affinity DataKi:  1.80E+3nMAssay 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
LigandPNGBDBM50434277(CHEMBL2386127)
Affinity DataKi:  1.68E+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
LigandPNGBDBM50434277(CHEMBL2386127)
Affinity DataKi: >3.00E+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)