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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain-like protease (PLpro)' and Ligand = 'BDBM50167306'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50167306
PNG
(1-Benzo[b]thiophen-2-ylmethyl-7-nitro-1H-indole-2,...)
Show SMILES [O-][N+](=O)c1cccc2C(=O)C(=O)N(Cc3cc4ccccc4s3)c12
Show InChI InChI=1S/C17H10N2O4S/c20-16-12-5-3-6-13(19(22)23)15(12)18(17(16)21)9-11-8-10-4-1-2-7-14(10)24-11/h1-8H,9H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)


Bioorg Med Chem Lett 15: 3058-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.027
BindingDB Entry DOI: 10.7270/Q2H131JB
More data for this
Ligand-Target Pair