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

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

InChI Key: InChIKey=JDSJDASOXWCHPN-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 7781   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen Synthase Kinase-3, beta (Oryctolagus cuniculus (rabbit))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	37
Instituto de Quimica Medica (CSIC)					Assay 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...				J Med Chem 45: 1292-9 (2002) Article DOI: 10.1021/jm011020u BindingDB Entry DOI: 10.7270/Q2P26WB1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein Kinase II (Bos taurus (bovine))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	37
Instituto de Quimica Medica (CSIC)					Assay 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...				J Med Chem 45: 1292-9 (2002) Article DOI: 10.1021/jm011020u BindingDB Entry DOI: 10.7270/Q2P26WB1
					More data for this Ligand-Target Pair
Protein Kinase C (Rattus norvegicus (rat))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	37
Instituto de Quimica Medica (CSIC)					Assay 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...				J Med Chem 45: 1292-9 (2002) Article DOI: 10.1021/jm011020u BindingDB Entry DOI: 10.7270/Q2P26WB1
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	37
Instituto de Quimica Medica (CSIC)					Assay 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...				J Med Chem 45: 1292-9 (2002) Article DOI: 10.1021/jm011020u BindingDB Entry DOI: 10.7270/Q2P26WB1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIC Curated by ChEMBL					Assay 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...				Eur J Med Chem 116: 281-289 (2016) Article DOI: 10.1016/j.ejmech.2016.03.035 BindingDB Entry DOI: 10.7270/Q2BP04P7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assay				Eur J Med Chem 61: 95-103 (2013) Article DOI: 10.1016/j.ejmech.2012.09.021 BindingDB Entry DOI: 10.7270/Q24J0GF0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of GSK3beta by kinase-glo assay method				Bioorg Med Chem Lett 22: 7232-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.043 BindingDB Entry DOI: 10.7270/Q2KD2034
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) using GS-2 peptide substrate incubated for 30 mins by kinase-Glo luminescent assay				J Med Chem 61: 7640-7656 (2018) Article DOI: 10.1021/acs.jmedchem.8b00610 BindingDB Entry DOI: 10.7270/Q20Z75TR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	37
Instituto de Quimica Medica (CSIC)					Assay 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...				J Med Chem 45: 1292-9 (2002) Article DOI: 10.1021/jm011020u BindingDB Entry DOI: 10.7270/Q2P26WB1
					More data for this Ligand-Target Pair