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PubMed code 19233643

Compile data set for download or QSAR
Found 16 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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258183
PNG
(4-(3-(4-chlorobenzylamino)phenyl)-2-hydroxy-4-oxob...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H14ClNO4/c18-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)15(20)9-16(21)17(22)23/h1-8,19H,9-10H2,(H,22,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258134
PNG
(4-(3-(4-chlorobenzyloxy)phenyl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H13ClO5/c18-13-6-4-11(5-7-13)10-23-14-3-1-2-12(8-14)15(19)9-16(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258134
PNG
(4-(3-(4-chlorobenzyloxy)phenyl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H13ClO5/c18-13-6-4-11(5-7-13)10-23-14-3-1-2-12(8-14)15(19)9-16(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a 2.44E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258136
PNG
(4-(2-(4-chlorobenzyloxy)phenyl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClO5/c18-12-7-5-11(6-8-12)10-23-16-4-2-1-3-13(16)14(19)9-15(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258085
PNG
(4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 3.99E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258085
PNG
(4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 4.13E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258183
PNG
(4-(3-(4-chlorobenzylamino)phenyl)-2-hydroxy-4-oxob...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H14ClNO4/c18-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)15(20)9-16(21)17(22)23/h1-8,19H,9-10H2,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50115572
PNG
((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137878
PNG
(4-(2-Benzyloxy-phenyl)-2,4-dioxo-butyric acid | 4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C17H14O5/c18-14(10-15(19)17(20)21)13-8-4-5-9-16(13)22-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258136
PNG
(4-(2-(4-chlorobenzyloxy)phenyl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClO5/c18-12-7-5-11(6-8-12)10-23-16-4-2-1-3-13(16)14(19)9-15(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258132
PNG
(4-(4-(4-chlorobenzyloxy)phenyl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H13ClO5/c18-13-5-1-11(2-6-13)10-23-14-7-3-12(4-8-14)15(19)9-16(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258132
PNG
(4-(4-(4-chlorobenzyloxy)phenyl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H13ClO5/c18-13-5-1-11(2-6-13)10-23-14-7-3-12(4-8-14)15(19)9-16(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50115572
PNG
((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137878
PNG
(4-(2-Benzyloxy-phenyl)-2,4-dioxo-butyric acid | 4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C17H14O5/c18-14(10-15(19)17(20)21)13-8-4-5-9-16(13)22-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%