Compile Data Set for Download or QSAR

Found 12 hits of Enzyme Inhibition Constant Data   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279989(US10028961, Compound 142 | US10172864, Compound 14...)copy SMILEScopy InChI
Affinity DataIC50: 0.25nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279977(US10028961, Compound 130 | US10172864, Compound 13...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279960(US10028961, Compound 113 | US10172864, Compound 11...)copy SMILEScopy InChI
Affinity DataIC50: 0.700nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279884(US10028961, Compound 31 | US10172864, Compound 31 ...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279996(US10028961, Compound 149 | US10172864, Compound 14...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279957(US10028961, Compound 110 | US10172864, Compound 11...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279894(US10028961, Compound 41 | US10172864, Compound 41 ...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM280059(US10028961, Compound 212 | US10172864, Compound 21...)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM279855(US10028961, Compound 2 | US10172864, Compound 2 | ...)copy SMILEScopy InChI
Affinity DataIC50: 48nMAssay Description:Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50509551(CHEMBL4448857)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 c...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50503251(AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...)copy SMILEScopy InChI
Affinity DataIC50: 4.95E+3nMAssay Description:Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 c...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8Q0NPubMed
* indicates data uncertainty>20%