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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 = 'BDBM420302'   
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)
BDBM420302
PNG
(9247873)
Show SMILES COc1cc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H30N2O4/c1-27-20-13-18(14-21(28-2)22(20)29-3)15-24-23(26)19-9-11-25(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3,(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a>2.00E+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