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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'liu' and Initial = 'hg'   
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
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50089165
PNG
(CHEMBL23622 | Cyclopropanecarboxylic acid 3-oxo-cy...)
Show SMILES O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
Show InChI InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
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n/an/a 30n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver


Bioorg Med Chem Lett 13: 927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2NP23SQ
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50124366
PNG
(4-Cyclopropanecarbonyl-3-cyclopropanecarbonyloxy-5...)
Show SMILES CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)OC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C17H20O6/c1-2-22-16(20)11-7-12(18)14(15(19)9-3-4-9)13(8-11)23-17(21)10-5-6-10/h9-11H,2-8H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver


Bioorg Med Chem Lett 13: 927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2NP23SQ
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114880
PNG
(3-Hydroxy-4-phenyl-5H-furan-2-one | CHEMBL295478)
Show SMILES O=C1OCC(C1=O)c1ccccc1
Show InChI InChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2
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n/an/a 500n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483060
PNG
(CHEMBL1277046 | acs.jmedchem.1c00409_ST.374)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(cc2)C#N)cc1 |c:12|
Show InChI InChI=1S/C24H15N3O3/c25-15-17-8-12-20(13-9-17)27-23(28)21(22(26-27)18-4-2-1-3-5-18)14-16-6-10-19(11-7-16)24(29)30/h1-14H,(H,29,30)/b21-14-
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n/an/a 5.50E+3n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114882
PNG
((4-Hydroxy-phenoxy)-acetic acid | CHEMBL297343)
Show SMILES OC(=O)COc1ccc(O)cc1
Show InChI InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483064
PNG
(CHEMBL1277227)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)cc1 |c:12|
Show InChI InChI=1S/C23H15FN2O3/c24-18-10-12-19(13-11-18)26-22(27)20(21(25-26)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(28)29/h1-14H,(H,28,29)/b20-14-
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n/an/a 6.80E+3n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483065
PNG
(CHEMBL1277228)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(c2)[N+]([O-])=O)cc1 |c:12|
Show InChI InChI=1S/C23H15N3O5/c27-22-20(13-15-9-11-17(12-10-15)23(28)29)21(16-5-2-1-3-6-16)24-25(22)18-7-4-8-19(14-18)26(30)31/h1-14H,(H,28,29)/b20-13-
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n/an/a 8.40E+3n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483065
PNG
(CHEMBL1277228)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(c2)[N+]([O-])=O)cc1 |c:12|
Show InChI InChI=1S/C23H15N3O5/c27-22-20(13-15-9-11-17(12-10-15)23(28)29)21(16-5-2-1-3-6-16)24-25(22)18-7-4-8-19(14-18)26(30)31/h1-14H,(H,28,29)/b20-13-
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n/an/a 9.60E+3n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50124367
PNG
(4-Cyclopropanecarbonyl-3-(cyclopropanecarbonyl-ami...)
Show SMILES CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)NC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C17H21NO5/c1-2-23-17(22)11-7-12(18-16(21)10-5-6-10)14(13(19)8-11)15(20)9-3-4-9/h9-11H,2-8H2,1H3,(H,18,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver


Bioorg Med Chem Lett 13: 927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2NP23SQ
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483062
PNG
(CHEMBL1277135)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(Cl)c2)cc1 |c:12|
Show InChI InChI=1S/C23H15ClN2O3/c24-18-7-4-8-19(14-18)26-22(27)20(21(25-26)16-5-2-1-3-6-16)13-15-9-11-17(12-10-15)23(28)29/h1-14H,(H,28,29)/b20-13-
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n/an/a 1.08E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483059
PNG
(CHEMBL1276871)
Show SMILES COc1ccc(cc1)N1N=C(\C(=C\c2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C24H18N2O4/c1-30-20-13-11-19(12-14-20)26-23(27)21(22(25-26)17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24(28)29/h2-15H,1H3,(H,28,29)/b21-15-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483058
PNG
(CHEMBL1278125)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(Cl)cc2)cc1 |c:12|
Show InChI InChI=1S/C23H15ClN2O3/c24-18-10-12-19(13-11-18)26-22(27)20(21(25-26)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(28)29/h1-14H,(H,28,29)/b20-14-
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n/an/a 1.39E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483059
PNG
(CHEMBL1276871)
Show SMILES COc1ccc(cc1)N1N=C(\C(=C\c2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C24H18N2O4/c1-30-20-13-11-19(12-14-20)26-23(27)21(22(25-26)17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24(28)29/h2-15H,1H3,(H,28,29)/b21-15-
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n/an/a 1.66E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483062
PNG
(CHEMBL1277135)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(Cl)c2)cc1 |c:12|
Show InChI InChI=1S/C23H15ClN2O3/c24-18-7-4-8-19(14-18)26-22(27)20(21(25-26)16-5-2-1-3-6-16)13-15-9-11-17(12-10-15)23(28)29/h1-14H,(H,28,29)/b20-13-
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n/an/a 1.73E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483057
PNG
(CHEMBL1277944)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:12|
Show InChI InChI=1S/C23H16N2O3/c26-22-20(15-16-11-13-18(14-12-16)23(27)28)21(17-7-3-1-4-8-17)24-25(22)19-9-5-2-6-10-19/h1-15H,(H,27,28)/b20-15-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483060
PNG
(CHEMBL1277046 | acs.jmedchem.1c00409_ST.374)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(cc2)C#N)cc1 |c:12|
Show InChI InChI=1S/C24H15N3O3/c25-15-17-8-12-20(13-9-17)27-23(28)21(22(26-27)18-4-2-1-3-5-18)14-16-6-10-19(11-7-16)24(29)30/h1-14H,(H,29,30)/b21-14-
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n/an/a 2.08E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483064
PNG
(CHEMBL1277227)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)cc1 |c:12|
Show InChI InChI=1S/C23H15FN2O3/c24-18-10-12-19(13-11-18)26-22(27)20(21(25-26)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(28)29/h1-14H,(H,28,29)/b20-14-
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n/an/a 2.24E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483063
PNG
(CHEMBL1277136)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 |c:12|
Show InChI InChI=1S/C23H14Cl2N2O3/c24-19-11-10-17(13-20(19)25)27-22(28)18(21(26-27)15-4-2-1-3-5-15)12-14-6-8-16(9-7-14)23(29)30/h1-13H,(H,29,30)/b18-12-
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n/an/a 2.43E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483058
PNG
(CHEMBL1278125)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(Cl)cc2)cc1 |c:12|
Show InChI InChI=1S/C23H15ClN2O3/c24-18-10-12-19(13-11-18)26-22(27)20(21(25-26)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(28)29/h1-14H,(H,28,29)/b20-14-
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n/an/a 2.50E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50483061
PNG
(CHEMBL1277047)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc1 |c:12|
Show InChI InChI=1S/C24H15F3N2O4/c25-24(26,27)33-19-12-10-18(11-13-19)29-22(30)20(21(28-29)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(31)32/h1-14H,(H,31,32)/b20-14-
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n/an/a 4.20E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483057
PNG
(CHEMBL1277944)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:12|
Show InChI InChI=1S/C23H16N2O3/c26-22-20(15-16-11-13-18(14-12-16)23(27)28)21(17-7-3-1-4-8-17)24-25(22)19-9-5-2-6-10-19/h1-15H,(H,27,28)/b20-15-
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n/an/a 5.11E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114878
PNG
((4-Hydroxy-phenoxy)-acetic acid ethyl ester | CHEM...)
Show SMILES CCOC(=O)COc1ccc(O)cc1
Show InChI InChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3
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n/an/a 7.30E+4n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114883
PNG
(2-(4-Hydroxy-phenoxy)-propionic acid | CHEMBL45615)
Show SMILES CC(Oc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483061
PNG
(CHEMBL1277047)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc1 |c:12|
Show InChI InChI=1S/C24H15F3N2O4/c25-24(26,27)33-19-12-10-18(11-13-19)29-22(30)20(21(28-29)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(31)32/h1-14H,(H,31,32)/b20-14-
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n/an/a 9.88E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114881
PNG
(3-Methyl-3-phenyl-oxirane-2-carboxylic acid methyl...)
Show SMILES COC(=O)C1OC1(C)c1ccccc1
Show InChI InChI=1S/C11H12O3/c1-11(8-6-4-3-5-7-8)9(14-11)10(12)13-2/h3-7,9H,1-2H3
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n/an/a 1.20E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50483063
PNG
(CHEMBL1277136)
Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 |c:12|
Show InChI InChI=1S/C23H14Cl2N2O3/c24-19-11-10-17(13-20(19)25)27-22(28)18(21(26-27)15-4-2-1-3-5-15)12-14-6-8-16(9-7-14)23(29)30/h1-13H,(H,29,30)/b18-12-
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n/an/a 1.26E+5n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis


Bioorg Med Chem 18: 7849-54 (2010)


Article DOI: 10.1016/j.bmc.2010.09.050
BindingDB Entry DOI: 10.7270/Q2GQ71KW
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114884
PNG
((4-Methoxy-2,5-dioxo-7-oxa-bicyclo[4.1.0]hept-3-en...)
Show SMILES COC(=O)CC1=CC(=O)C(OC)=CC1=O |c:11,t:5|
Show InChI InChI=1S/C10H10O5/c1-14-9-5-7(11)6(3-8(9)12)4-10(13)15-2/h3,5H,4H2,1-2H3
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n/an/a 1.50E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114879
PNG
((4-Hydroxy-phenoxy)-acetic acid methyl ester | CHE...)
Show SMILES COC(=O)COc1ccc(O)cc1
Show InChI InChI=1S/C9H10O4/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
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n/an/a 2.23E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114885
PNG
((4-Methoxy-2,5-dioxo-7-oxa-bicyclo[4.1.0]hept-3-en...)
Show SMILES COC(=O)CC12OC1C(=O)C(OC)=CC2=O |c:13|
Show InChI InChI=1S/C10H10O6/c1-14-5-3-6(11)10(4-7(12)15-2)9(16-10)8(5)13/h3,9H,4H2,1-2H3
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n/an/a 5.00E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114875
PNG
(2-(4-Hydroxy-phenoxy)-propionic acid ethyl ester |...)
Show SMILES CCOC(=O)C(C)Oc1ccc(O)cc1
Show InChI InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
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n/an/a 5.88E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114877
PNG
(2-Hydroxy-3-phenyl-but-3-enoic acid methyl ester |...)
Show SMILES COC(=O)C(O)C(=C)c1ccccc1
Show InChI InChI=1S/C11H12O3/c1-8(10(12)11(13)14-2)9-6-4-3-5-7-9/h3-7,10,12H,1H2,2H3
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n/an/a>9.00E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50114876
PNG
(2-Hydroxy-3-phenyl-but-3-enoic acid | CHEMBL45880)
Show SMILES OC(C(O)=O)C(=C)c1ccccc1
Show InChI InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-6,9,11H,1H2,(H,12,13)
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n/an/a>9.00E+5n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method


Bioorg Med Chem Lett 12: 1709-13 (2002)


BindingDB Entry DOI: 10.7270/Q2639P3J
More data for this
Ligand-Target Pair