BDBM50111800 CHEMBL3605388

SMILES CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S

InChI Key InChIKey=ORESZEYKAHLKRD-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 = 50111800   

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

Curated by ChEMBL
LigandPNGBDBM50111800(CHEMBL3605388)
Affinity DataKi:  4.60E+3nMAssay 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
LigandPNGBDBM50111800(CHEMBL3605388)
Affinity DataKi:  1.25E+4nMAssay 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
LigandPNGBDBM50111800(CHEMBL3605388)
Affinity DataKi:  3.29E+4nMAssay 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)