BDBM7781 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione::NP 01139::TDZD-8::Thiadiazolidinone (TDZD) deriv. 8::US20230414581, Compound 1

SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O

InChI Key InChIKey=JDSJDASOXWCHPN-UHFFFAOYSA-N

Data  20 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 7781   

TargetGlycogen synthase kinase-3 beta [7-25](Rabbit)
Instituto De Quimica Medica (Csic)

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMpH: 7.5 T: 37°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair

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TargetReplicase polyprotein 1ab(2019-nCoV)
American University of Ras Al Khaimah

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+3nMAssay Description:Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileumMore data for this Ligand-Target Pair

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TargetBeta-casein(Bovine)
Instituto De Quimica Medica (Csic)

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 37°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair

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TargetProtein kinase C beta type(Rat)
Instituto De Quimica Medica (Csic)

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 37°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 10 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair

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TargetcAMP-dependent protein kinase catalytic subunit alpha(Bovine)
Instituto De Quimica Medica (Csic)

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 37°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of human recombinant GSK3beta expressed in Escherichia coli using GS-1 as substrate incubated for 20 mins by gamma[32P]ATP-based scintilla...More data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assayMore data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of GSK3beta by kinase-glo assay methodMore data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of GSK3-betaMore data for this Ligand-Target Pair

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TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3(Human)
The Rockefeller University

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of CDK1/cyclinBMore data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  690nMAssay Description:Inhibition of GSK3beta (unknown origin) using GS-2 peptide substrate incubated for 30 mins by kinase-Glo luminescent assayMore data for this Ligand-Target Pair

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TargetReplicase polyprotein 1ab(2019-nCoV)
American University of Ras Al Khaimah

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  140nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair

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TargetReplicase polyprotein 1ab(2019-nCoV)
American University of Ras Al Khaimah

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  140nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair

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TargetReplicase polyprotein 1ab(2019-nCoV)
American University of Ras Al Khaimah

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  2.15E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of recombinant human GSK-3beta using GS-2 peptide as substrate incubated for 30 mins in presence of ATP by kinase-glo luminescence assayMore data for this Ligand-Target Pair

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TargetNAD(+) hydrolase SARM1(Human)
Artivila Biopharma

US Patent

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50: <1.00E+3nMAssay Description:First, 200 μM of the compound was added to a 50 mM Tris-HCl (pH 7.5) solution containing 0.05 μg/ml dN-SARM1. Then half of the mixture was ...More data for this Ligand-Target Pair

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TargetGlycogen synthase kinase-3 beta(Human)
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of GSK-3beta (unknown origin) using GS-1 as substrate incubated for 20 minsMore data for this Ligand-Target Pair

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TargetProtein kinase C zeta type(Rat)
West China Hospital

Curated by ChEMBL

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of rat brain PKC using peptide PANKTPPKSPGEPAK as substrate incubated for 20 mins in presence of phosphatidyl serineMore data for this Ligand-Target Pair

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TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
Instituto De Quimica Medica (Csic)

LigandBDBM7781(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 37°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair

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