BDBM195601 GSK321::US11311527, Cpd ID GSK321::US11376246, Cpd ID GSK321::US11576906, Compound GSK321

SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1

InChI Key

Data  19 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 195601   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  46nMT: 2°CAssay Description:For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...More data for this Ligand-Target Pair

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  3.80nMAssay Description:Compound 1 was not initially reported as having the greatest biochemical potency compared to reports for certain other small molecule inhibitors of m...More data for this Ligand-Target Pair

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TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  3.80nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132G](Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  2.90nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  496nMT: 2°CAssay Description:For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...More data for this Ligand-Target Pair

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TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  1.36E+3nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair

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TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172S](Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  1.03E+3nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair

Target InfoPDB
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In DepthDetails ArticlePubMed
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  4.60nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  3.80nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) using alphaKG as substrate after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  9nMAssay Description:Inhibition of IDH1 RI32C mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by LC-MS analysisMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataEC50:  85nMAssay Description:Inhibition of IDH1 RI32C mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by LC-MS analysisMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  17nMAssay Description:Inhibition of IDH1 R132G mutant (unknown origin) using alphaKG as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  15nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Albert Einstein College Of Medicine

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  970nMAssay Description:Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  4.80nMAssay Description:Please see paper.More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  2.89E+3nMAssay Description:Please see paper.More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  4.80nMAssay Description:The cellular potency of Compound 1 in suppressing intracellular 2-HG levels was determined in cell lines expressing five different mutated IDH-1 prot...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  2.89E+3nMAssay Description:The cellular potency of Compound 1 in suppressing intracellular 2-HG levels was determined in cell lines expressing five different mutated IDH-1 prot...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  4.80nMAssay Description:Compound 1 was not initially reported as having the greatest biochemical potency compared to reports for certain other small molecule inhibitors of m...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Therapeutics

US Patent

LigandBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Copy SMILES

Affinity DataIC50:  4.60nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI