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

SMILES: CCC(C)SSc1ncc[nH]1

InChI Key: InChIKey=BPBPYQWMFCTCNG-UHFFFAOYSA-N

Data: 4 IC50

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 5 hits for monomerid = 50426071   

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
Thioredoxin reductase 1 (TrxR) (Homo sapiens (Human))	BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)	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...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)	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
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Replicase polyprotein 1ab (2019-nCoV)	BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)	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...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)	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...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)	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