BDBM50111794 CHEMBL3605382

SMILES CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S

InChI Key InChIKey=IWSWTVREIULVFV-UHFFFAOYSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50111794   

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

Curated by ChEMBL
LigandPNGBDBM50111794(CHEMBL3605382)
Affinity DataKi:  750nMAssay Description:Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50111794(CHEMBL3605382)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of recombinant human IDH1 R132C mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50111794(CHEMBL3605382)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of recombinant human wild type IDH1 expressed in Escherichia coli using sodium (D)-isocitrate as substrate assessed as production of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)