BDBM50166940 NP-031112::NP-12::Tideglusib::US20230414581, Compound 7::med.21724, Compound 155

SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1

InChI Key InChIKey=PMJIHLSCWIDGMD-UHFFFAOYSA-N

Data  22 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50166940   

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

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.00E+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
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:Inhibition of SARS-CoV-2 main proteaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  78nMAssay Description:Inhibition of GSK-3beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  80nMAssay 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
In DepthDetails Article
TargetSortase family protein(Staphylococcus aureus)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of Staphylococcus aureus SrtA delta N24 mutant expressed in Escherichia coli BL21 (DE3) assessed as reduction in IsdA (64 to 323 residues)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSortase family protein(Staphylococcus aureus)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  600nMAssay Description:Inhibition of Staphylococcus aureus SrtA delta N24 mutant expressed in Escherichia coli BL21 (DE3) using Abz-LPATG-Dnp substrate incubated for 20 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  5nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant GSK3beta using GSK3 peptide as substrate preincubated for 15 mins followed by ATP addition and measured after 90 mins...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.78E+3nMAssay Description:Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  139nMAssay Description:Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of SARS-CoV-2 M-proteaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  60nMAssay Description:Inhibition of GSK-3beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNAD(+) hydrolase SARM1(Homo sapiens)
Artivila Biopharma

US Patent
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
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
In DepthDetails US Patent
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Mca-AVLQ SGFR-K(Dnp)K as substrate by EnVision multimode plate reader an...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  300nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate addition a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  251nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  670nMAssay Description:Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Centro De Investigaciones Biologicas (Cib, Csic)

Curated by ChEMBL
LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed