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PubMed code 16759091

Compile data set for download or QSAR
Found 28 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...)
BDBM11264
PNG
(N-(3,5-dichlorophenyl)-2-{[4-(2-phenyl-1,3-thiazol...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CSc2nccc(n2)-c2csc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H14Cl2N4OS2/c22-14-8-15(23)10-16(9-14)25-19(28)12-30-21-24-7-6-17(27-21)18-11-29-20(26-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28)
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PubMed
n/an/a 3.00E+3n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11265
PNG
(N-(4-chlorophenyl)-2-[(4-{5-[1-methyl-5-(trifluoro...)
Show SMILES Cn1nc(cc1C(F)(F)F)-c1ccc(s1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H15ClF3N5OS2/c1-30-18(21(23,24)25)10-15(29-30)17-7-6-16(33-17)14-8-9-26-20(28-14)32-11-19(31)27-13-4-2-12(22)3-5-13/h2-10H,11H2,1H3,(H,27,31)
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PubMed
n/an/a 1.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11266
PNG
(N-(4-chlorophenyl)-2-({4-[4-methyl-5-(4-methyl-1,3...)
Show SMILES CSc1sc(c(C)c1-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1)-c1nc(C)cs1
Show InChI InChI=1S/C22H19ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-6-4-14(23)5-7-15/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 1.10E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11267
PNG
(N-(2-chlorophenyl)-2-({4-[4-methyl-5-(4-methyl-1,3...)
Show SMILES CSc1sc(c(C)c1-c1ccnc(SCC(=O)Nc2ccccc2Cl)n1)-c1nc(C)cs1
Show InChI InChI=1S/C22H19ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-7-5-4-6-14(15)23/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 1.20E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11268
PNG
(N-(4-chlorophenyl)-2-({4-[2-(2-methyl-1,3-thiazol-...)
Show SMILES Cc1nc(cs1)-c1nc(cs1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H14ClN5OS3/c1-11-22-16(9-27-11)18-24-15(8-28-18)14-6-7-21-19(25-14)29-10-17(26)23-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,23,26)
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n/an/a 1.40E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11270
PNG
(2-({4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H13Cl2F3N4O2S/c23-13-3-6-15(16(24)9-13)18-10-19(33-31-18)17-7-8-28-21(30-17)34-11-20(32)29-14-4-1-12(2-5-14)22(25,26)27/h1-10H,11H2,(H,29,32)
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n/an/a 1.50E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11271
PNG
(N-(4-chlorophenyl)-2-({4-[3-(2-chlorophenyl)-1,2-o...)
Show SMILES Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2S/c22-13-5-7-14(8-6-13)25-20(28)12-30-21-24-10-9-17(26-21)19-11-18(27-29-19)15-3-1-2-4-16(15)23/h1-11H,12H2,(H,25,28)
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n/an/a 1.50E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11269
PNG
(N-(4-chlorophenyl)-2-{[4-(3-phenyl-1,2-oxazol-5-yl...)
Show SMILES Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H15ClN4O2S/c22-15-6-8-16(9-7-15)24-20(27)13-29-21-23-11-10-17(25-21)19-12-18(26-28-19)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,27)
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n/an/a 1.50E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11272
PNG
(N-(4-chlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin...)
Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-2-3-12-8-13(20)19-15(18-12)22-9-14(21)17-11-6-4-10(16)5-7-11/h4-8H,2-3,9H2,1H3,(H,17,21)(H,18,19,20)
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n/an/a 3.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11274
PNG
(N-[4-(propan-2-yl)phenyl]-2-{[4-(thiophen-2-yl)pyr...)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nccc(n2)-c2cccs2)cc1
Show InChI InChI=1S/C19H19N3OS2/c1-13(2)14-5-7-15(8-6-14)21-18(23)12-25-19-20-10-9-16(22-19)17-4-3-11-24-17/h3-11,13H,12H2,1-2H3,(H,21,23)
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n/an/a 4.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11273
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C20H17N5O5S2/c1-30-14-4-2-3-12(9-14)18-16(10-21)19(27)25-20(24-18)31-11-17(26)23-13-5-7-15(8-6-13)32(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)
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n/an/a 4.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11275
PNG
(N-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-6-phenylpyri...)
Show SMILES COc1ccc(NC(=O)CSc2nc(cc(=O)[nH]2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-9-8-14(10-17(16)27-2)21-19(25)12-28-20-22-15(11-18(24)23-20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
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n/an/a 4.50E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11276
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C22H18N4O4S/c1-13(27)14-6-8-16(9-7-14)24-19(28)12-31-22-25-20(18(11-23)21(29)26-22)15-4-3-5-17(10-15)30-2/h3-10H,12H2,1-2H3,(H,24,28)(H,25,26,29)
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n/an/a 6.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11277
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C24H22N4O4S/c1-4-20(23(31)26-17-9-5-7-15(11-17)14(2)29)33-24-27-21(19(13-25)22(30)28-24)16-8-6-10-18(12-16)32-3/h5-12,20H,4H2,1-3H3,(H,26,31)(H,27,28,30)
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n/an/a 6.00E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11278
PNG
(N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-6-oxo-1,...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1
Show InChI InChI=1S/C19H16ClN3O3S/c1-12-9-17(24)23-19(21-12)27-11-18(25)22-15-10-13(20)7-8-16(15)26-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11280
PNG
(2-({4-[2-(2-chlorophenoxymethyl)-1,3-thiazol-4-yl]...)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nccc(n2)-c2csc(COc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C25H23ClN4O2S2/c1-16(2)17-7-9-18(10-8-17)28-23(31)15-34-25-27-12-11-20(30-25)21-14-33-24(29-21)13-32-22-6-4-3-5-19(22)26/h3-12,14,16H,13,15H2,1-2H3,(H,28,31)
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n/an/a 2.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11279
PNG
(N-[4-(4-chlorophenoxy)phenyl]-2-[(4-hydroxy-6-meth...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C19H16ClN3O3S/c1-12-10-17(24)23-19(21-12)27-11-18(25)22-14-4-8-16(9-5-14)26-15-6-2-13(20)3-7-15/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
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n/an/a 2.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11282
PNG
(N-(4-butyl-2-methylphenyl)-2-[(5-cyano-4-cyclohexy...)
Show SMILES CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1
Show InChI InChI=1S/C24H30N4O2S/c1-3-4-8-17-11-12-20(16(2)13-17)26-21(29)15-31-24-27-22(18-9-6-5-7-10-18)19(14-25)23(30)28-24/h11-13,18H,3-10,15H2,1-2H3,(H,26,29)(H,27,28,30)
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n/an/a 2.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11283
PNG
(2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-...)
Show SMILES FC(F)(F)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-7-4-8-14(9-13)25-16(28)11-30-19-26-17(12-5-2-1-3-6-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)
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n/an/a 2.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11281
PNG
(2-{[4-(dimethoxymethyl)-6-hydroxypyrimidin-2-yl]su...)
Show SMILES COC(OC)c1cc(=O)[nH]c(SCC(=O)Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C16H16F3N3O4S/c1-25-14(26-2)11-7-12(23)22-15(21-11)27-8-13(24)20-10-5-3-9(4-6-10)16(17,18)19/h3-7,14H,8H2,1-2H3,(H,20,24)(H,21,22,23)
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n/an/a 2.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11284
PNG
(ethyl 4-amino-2-({[(4-nitrophenyl)carbamoyl]methyl...)
Show SMILES CCOC(=O)c1cnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc1N
Show InChI InChI=1S/C15H15N5O5S/c1-2-25-14(22)11-7-17-15(19-13(11)16)26-8-12(21)18-9-3-5-10(6-4-9)20(23)24/h3-7H,2,8H2,1H3,(H,18,21)(H2,16,17,19)
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n/an/a 2.50E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11287
PNG
(N-(4-chlorophenyl)-2-[(5-cyano-6-oxo-4-phenyl-1,6-...)
Show SMILES CC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN4O2S/c1-12(18(26)23-15-9-7-14(21)8-10-15)28-20-24-17(13-5-3-2-4-6-13)16(11-22)19(27)25-20/h2-10,12H,1H3,(H,23,26)(H,24,25,27)
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n/an/a 3.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11285
PNG
(3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4-etho...)
Show SMILES CCOc1ccc(cc1)-n1c(O)cc(Sc2nc(C)cc(C)n2)c1O
Show InChI InChI=1S/C18H19N3O3S/c1-4-24-14-7-5-13(6-8-14)21-16(22)10-15(17(21)23)25-18-19-11(2)9-12(3)20-18/h5-10,22-23H,4H2,1-3H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11286
PNG
(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydrop...)
Show SMILES COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C20H15N5O5S/c1-30-15-4-2-3-12(9-15)18-16(10-21)19(27)24-20(23-18)31-11-17(26)22-13-5-7-14(8-6-13)25(28)29/h2-9H,11H2,1H3,(H,22,26)(H,23,24,27)
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n/an/a 3.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11288
PNG
(N-(4-tert-butylphenyl)-2-[(5-cyano-4-cyclohexyl-6-...)
Show SMILES CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)16-9-11-17(12-10-16)25-19(28)14-30-22-26-20(15-7-5-4-6-8-15)18(13-24)21(29)27-22/h9-12,15H,4-8,14H2,1-3H3,(H,25,28)(H,26,27,29)
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n/an/a 3.50E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11289
PNG
(2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-...)
Show SMILES COc1ccc(cc1)-c1ccnc(SCC(=O)Nc2ccc(cc2)C(C)C)n1
Show InChI InChI=1S/C22H23N3O2S/c1-15(2)16-4-8-18(9-5-16)24-21(26)14-28-22-23-13-12-20(25-22)17-6-10-19(27-3)11-7-17/h4-13,15H,14H2,1-3H3,(H,24,26)
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n/an/a 4.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11290
PNG
(N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-6-(triflu...)
Show SMILES Cc1cc(nc(SCC(=O)Nc2ccc(Cl)cc2F)n1)C(F)(F)F
Show InChI InChI=1S/C14H10ClF4N3OS/c1-7-4-11(14(17,18)19)22-13(20-7)24-6-12(23)21-10-3-2-8(15)5-9(10)16/h2-5H,6H2,1H3,(H,21,23)
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n/an/a 5.00E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11291
PNG
(2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[n-]c(=[OH+])c1C
Show InChI InChI=1S/C14H14N4O4S/c1-8-9(2)15-14(17-13(8)20)23-7-12(19)16-10-3-5-11(6-4-10)18(21)22/h3-6H,7H2,1-2H3,(H2,15,16,17,19,20)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%