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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM420301'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM420301
PNG
(6577871)
Show SMILES COc1ccc(CNC(=O)C2CCN(Cc3cccc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H28N2O2/c1-29-23-11-9-19(10-12-23)17-26-25(28)21-13-15-27(16-14-21)18-22-7-4-6-20-5-2-3-8-24(20)22/h2-12,21H,13-18H2,1H3,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



University of Georgia



Assay Description
Emulating Ratia et al., who detailed the potency of these four compounds against SARS-CoV-1, we utilized the peptide-AMC substrate concentration of 5...


ACS Infect Dis 6: 2099-2109 (2020)


BindingDB Entry DOI: 10.7270/Q2474D7W
More data for this
Ligand-Target Pair