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

SMILES CCC(C)SSc1ncc[nH]1

InChI Key InChIKey=BPBPYQWMFCTCNG-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50426071   

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

US Patent
LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
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 DepthDetails US Patent
TargetThioredoxin(Homo sapiens (Human))
Stanford University

Curated by ChEMBL
LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
Affinity DataIC50:  2.14E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
Affinity DataIC50:  2.10E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed