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Found 4 hits Enz. Inhib. hit(s) with Target = 'MERS-CoV papain-like protease (MERS-PLpro)' AND taxid = 1235996   
Target
(Institution)
LigandTarget
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
MERS-CoV papain-like protease (MERS-PLpro)


(Middle East respiratory syndrome coronavirus (Viru...)
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4))
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
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UniProtKB/TrEMBL

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PubMed
7.60E+3n/a 6.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...


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Ligand-Target Pair
MERS-CoV papain-like protease (MERS-PLpro)


(Middle East respiratory syndrome coronavirus (Viru...)
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...


Citation and Details
More data for this
Ligand-Target Pair
MERS-CoV papain-like protease (MERS-PLpro)


(Middle East respiratory syndrome coronavirus (Viru...)
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4))
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
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UniProtKB/TrEMBL

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PubMed
n/an/an/a 1.84E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...


Citation and Details
More data for this
Ligand-Target Pair
MERS-CoV papain-like protease (MERS-PLpro)


(Middle East respiratory syndrome coronavirus (Viru...)
BDBM154575
PNG
(3-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-o...)
Show SMILES CCOc1cccc2cc(oc12)-c1nnc(NC(=O)c2sc3ccccc3c2Cl)o1
Show InChI InChI=1S/C21H14ClN3O4S/c1-2-27-13-8-5-6-11-10-14(28-17(11)13)20-24-25-21(29-20)23-19(26)18-16(22)12-7-3-4-9-15(12)30-18/h3-10H,2H2,1H3,(H,23,25,26)
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n/an/an/a 3.99E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...


Citation and Details
More data for this
Ligand-Target Pair