BDBM50426071 CHEMBL406050::US9018255, PX-12::med.21724, Compound 156
SMILES: CCC(C)SSc1ncc[nH]1
InChI Key: InChIKey=BPBPYQWMFCTCNG-UHFFFAOYSA-N
Data: 4 IC50
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 |
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Thioredoxin reductase 1 (TrxR) (Homo sapiens (Human)) | BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Instytut Chemii Organicznej Polskiej Akademii Nauk; Warszawski Uniwersytet Medyczny US Patent | Assay Description The method of determining thioredoxin activity is based on the reduction of insulin by thioredoxin. Thioredoxin is reconstituted is by thioredoxin re... | US Patent US9018255 (2015) BindingDB Entry DOI: 10.7270/Q2VD6X6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thioredoxin (Homo sapiens (Human)) | BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University Curated by ChEMBL | Assay Description Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora... | J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem | n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn | Assay Description This is a review article. | Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University | Assay 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 ... | Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX | |||||||||||
More data for this Ligand-Target Pair |