BDBM50426071 CHEMBL406050::PX-12::US9018255, PX-12::med.21724, Compound 156

SMILES CCC(C)SSc1ncc[nH]1

InChI Key InChIKey=BPBPYQWMFCTCNG-UHFFFAOYSA-N

Data  11 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 11 hits for monomerid = 50426071   

TargetThioredoxin reductase 1, cytoplasmic(Human)
Instytut Chemii Organicznej Polskiej Akademii Nauk

US Patent
LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 1.54E+4nMpH: 7.6Assay Description:The method of determining thioredoxin activity is based on the reduction of insulin by thioredoxin. Thioredoxin is reconstituted is by thioredoxin re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2015
Entry Details
Go to US Patent

TargetThioredoxin(Human)
Stanford University

Curated by ChEMBL
LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.11E+3nMAssay Description:Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.14E+4nMAssay 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 Depth
Date in BDB:
9/6/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.10E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.14E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.14E+4nMAssay 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 Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 670nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of SARS-CoV-2 main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | US9018255, PX-12 | med.21724, Compo...)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed