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PubMed code 17381079

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208940
PNG
(5-bromo-pyridin-3-yl furan-2-carboxylate | 5-bromo...)
Show SMILES Brc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6BrNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 50n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208942
PNG
(5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-car...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H
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n/an/a 63n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208939
PNG
(5-chloro-pyridin-3-yl-1H-indole-2-carboxylate | 5-...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)13-5-9-3-1-2-4-12(9)17-13/h1-8,17H
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n/an/a 65n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208941
PNG
(5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1
Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H
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n/an/a 95n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208943
PNG
(5-chloropyridin-3-yl benzofuran-2-carboxylate | CH...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C14H8ClNO3/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H
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n/an/a 170n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208938
PNG
(5-chloropyridin-3-yl thiazole-4-carboxylate | 5-ch...)
Show SMILES Clc1cncc(OC(=O)c2cscn2)c1
Show InChI InChI=1S/C9H5ClN2O2S/c10-6-1-7(3-11-2-6)14-9(13)8-4-15-5-12-8/h1-5H
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n/an/a 270n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50208944
PNG
(5-chloropyridin-3-yl 3-methoxybenzoate | 5-chlorop...)
Show SMILES COc1cccc(c1)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C13H10ClNO3/c1-17-11-4-2-3-9(5-11)13(16)18-12-6-10(14)7-15-8-12/h2-8H,1H3
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n/an/a 340n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%