BDBM429466 US20240016777, Table3.7::acs.jmedchem.1c00409_ST.480::med.21724, Compound 138

SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1

InChI Key InChIKey=YUSWMAULDXZHPY-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 429466   

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM429466(US20240016777, Table3.7 | acs.jmedchem.1c00409_ST....)
Affinity DataKi:  1.38E+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 1a(2019-nCoV)
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM429466(US20240016777, Table3.7 | acs.jmedchem.1c00409_ST....)
Affinity DataIC50:  8.00E+3nMAssay Description:Assay details: A SARS-Cov-2 Mpro construct was prepared, which includes a His-tag and PreScission cleavage site (see FIG. 3A). The construct was tran...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM429466(US20240016777, Table3.7 | acs.jmedchem.1c00409_ST....)
Affinity DataIC50:  8.30E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM429466(US20240016777, Table3.7 | acs.jmedchem.1c00409_ST....)
Affinity DataIC50:  8.30E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed