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Compile Data Set for Download or QSAR

Found 32 hits from Conrad Prebys Center for Chemical Genomics   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(West Nile virus)
BDBM35491
PNG
(Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N
Show InChI InChI=1S/C17H15N3O5S/c1-24-13-7-9-14(10-8-13)26(22,23)20-15(18)11-16(19-20)25-17(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3
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n/an/a 105n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM35509
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O5S2/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-24-12/h2-9H,16H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302021
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)cccc2F)cc1N
Show InChI InChI=1S/C17H13F2N3O5S/c1-26-10-5-7-11(8-6-10)28(24,25)22-14(20)9-15(21-22)27-17(23)16-12(18)3-2-4-13(16)19/h2-9H,20H2,1H3
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n/an/a 310n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302022
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)ccc(F)c2F)cc1N
Show InChI InChI=1S/C17H12F3N3O5S/c1-27-9-2-4-10(5-3-9)29(25,26)23-13(21)8-14(22-23)28-17(24)15-11(18)6-7-12(19)16(15)20/h2-8H,21H2,1H3
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n/an/a 970n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302023
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2sccc2Cl)cc1N
Show InChI InChI=1S/C15H12ClN3O5S2/c1-23-9-2-4-10(5-3-9)26(21,22)19-12(17)8-13(18-19)24-15(20)14-11(16)6-7-25-14/h2-8H,17H2,1H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM32778
PNG
(MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
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n/an/a 1.35E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302024
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)cc(F)cc2F)cc1N
Show InChI InChI=1S/C17H12F3N3O5S/c1-27-10-2-4-11(5-3-10)29(25,26)23-14(21)8-15(22-23)28-17(24)16-12(19)6-9(18)7-13(16)20/h2-8H,21H2,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302025
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(F)cc2F)cc1N
Show InChI InChI=1S/C17H13F2N3O5S/c1-26-11-3-5-12(6-4-11)28(24,25)22-15(20)9-16(21-22)27-17(23)13-7-2-10(18)8-14(13)19/h2-9H,20H2,1H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302026
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2C)cc1N
Show InChI InChI=1S/C18H17N3O5S/c1-12-5-3-4-6-15(12)18(22)26-17-11-16(19)21(20-17)27(23,24)14-9-7-13(25-2)8-10-14/h3-11H,19H2,1-2H3
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n/an/a 3.55E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302011
PNG
(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl benzo...)
Show SMILES COc1ccc(Cn2nc(C)cc2OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O3/c1-14-12-18(24-19(22)16-6-4-3-5-7-16)21(20-14)13-15-8-10-17(23-2)11-9-15/h3-12H,13H2,1-2H3
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n/an/a 4.03E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302027
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)ccc(C)c2F)cc1N
Show InChI InChI=1S/C18H15F2N3O5S/c1-10-3-8-13(19)16(17(10)20)18(24)28-15-9-14(21)23(22-15)29(25,26)12-6-4-11(27-2)5-7-12/h3-9H,21H2,1-2H3
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n/an/a 4.28E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302002
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cc(F)ccc2F)cc1N
Show InChI InChI=1S/C17H13F2N3O5S/c1-26-11-3-5-12(6-4-11)28(24,25)22-15(20)9-16(21-22)27-17(23)13-8-10(18)2-7-14(13)19/h2-9H,20H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302003
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2sccc2C)cc1N
Show InChI InChI=1S/C16H15N3O5S2/c1-10-7-8-25-15(10)16(20)24-14-9-13(17)19(18-14)26(21,22)12-5-3-11(23-2)4-6-12/h3-9H,17H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302012
PNG
(1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenz...)
Show SMILES Cc1cc(OC(=O)c2c(F)cccc2F)n(Cc2ccccc2)n1
Show InChI InChI=1S/C18H14F2N2O2/c1-12-10-16(22(21-12)11-13-6-3-2-4-7-13)24-18(23)17-14(19)8-5-9-15(17)20/h2-10H,11H2,1H3
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n/an/a 8.04E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302013
PNG
(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-d...)
Show SMILES COc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C19H16F2N2O3/c1-12-10-17(26-19(24)18-15(20)4-3-5-16(18)21)23(22-12)11-13-6-8-14(25-2)9-7-13/h3-10H,11H2,1-2H3
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n/an/a 8.71E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302029
PNG
(CHEMBL584951 | N-(1-(4-methoxyphenylsulfonyl)-3-me...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(C)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O4S/c1-13-12-17(19-18(22)14-6-4-3-5-7-14)21(20-13)26(23,24)16-10-8-15(25-2)9-11-16/h3-12H,1-2H3,(H,19,22)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302014
PNG
(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-d...)
Show SMILES COc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)ccc(C)c2F)cc1
Show InChI InChI=1S/C20H18F2N2O3/c1-12-4-9-16(21)18(19(12)22)20(25)27-17-10-13(2)23-24(17)11-14-5-7-15(26-3)8-6-14/h4-10H,11H2,1-3H3
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n/an/a 9.26E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302015
PNG
(1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-m...)
Show SMILES Cc1cc(OC(=O)c2c(F)ccc(C)c2F)n(Cc2ccccc2)n1
Show InChI InChI=1S/C19H16F2N2O2/c1-12-8-9-15(20)17(18(12)21)19(24)25-16-10-13(2)22-23(16)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 9.43E+3n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302004
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(F)c(F)c(C)c(F)c2F)cc1N
Show InChI InChI=1S/C18H13F4N3O5S/c1-8-14(19)16(21)13(17(22)15(8)20)18(26)30-12-7-11(23)25(24-12)31(27,28)10-5-3-9(29-2)4-6-10/h3-7H,23H2,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302005
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(F)c(F)c2F)cc1N
Show InChI InChI=1S/C17H12F3N3O5S/c1-27-9-2-4-10(5-3-9)29(25,26)23-13(21)8-14(22-23)28-17(24)11-6-7-12(18)16(20)15(11)19/h2-8H,21H2,1H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302028
PNG
(5-(2,6-difluorostyryl)-1-(4-methoxybenzyl)-3-methy...)
Show SMILES COc1ccc(Cn2nc(C)cc2\C=C\c2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H18F2N2O/c1-14-12-16(8-11-18-19(21)4-3-5-20(18)22)24(23-14)13-15-6-9-17(25-2)10-7-15/h3-12H,13H2,1-2H3/b11-8+
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n/an/a 1.38E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302030
PNG
(CHEMBL571139 | N-(3-methyl-1-phenyl-1H-pyrazol-5-y...)
Show SMILES Cc1cc(NC(=O)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O/c1-13-12-16(18-17(21)14-8-4-2-5-9-14)20(19-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,18,21)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302019
PNG
(1-(2,6-difluorophenyl)-2-(1-(4-methoxybenzyl)-3-me...)
Show SMILES COc1ccc(Cn2nc(C)cc2CC(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H18F2N2O2/c1-13-10-15(11-19(25)20-17(21)4-3-5-18(20)22)24(23-13)12-14-6-8-16(26-2)9-7-14/h3-10H,11-12H2,1-2H3
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n/an/a 2.39E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302006
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cc(F)c(F)cc2F)cc1N
Show InChI InChI=1S/C17H12F3N3O5S/c1-27-9-2-4-10(5-3-9)29(25,26)23-15(21)8-16(22-23)28-17(24)11-6-13(19)14(20)7-12(11)18/h2-8H,21H2,1H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302020
PNG
(1-(2-fluorophenyl)-2-(1-(4-methoxybenzyl)-3-methyl...)
Show SMILES COc1ccc(Cn2nc(C)cc2CC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C20H19FN2O2/c1-14-11-16(12-20(24)18-5-3-4-6-19(18)21)23(22-14)13-15-7-9-17(25-2)10-8-15/h3-11H,12-13H2,1-2H3
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n/an/a 3.88E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302007
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccc(c2F)C(F)(F)F)cc1N
Show InChI InChI=1S/C18H13F4N3O5S/c1-29-10-5-7-11(8-6-10)31(27,28)25-14(23)9-15(24-25)30-17(26)12-3-2-4-13(16(12)19)18(20,21)22/h2-9H,23H2,1H3
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n/an/a 4.55E+4n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302017
PNG
(1-(2,6-difluorophenyl)-2-(1-(4-methoxybenzyl)-3-me...)
Show SMILES COc1ccc(Cn2nc(C)cc2CC(O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H20F2N2O2/c1-13-10-15(11-19(25)20-17(21)4-3-5-18(20)22)24(23-13)12-14-6-8-16(26-2)9-7-14/h3-10,19,25H,11-12H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302018
PNG
(2-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl)-1...)
Show SMILES COc1ccc(Cn2nc(C)cc2CC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12H,13-14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302010
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2[N+]([O-])=O)cc1N
Show InChI InChI=1S/C17H14N4O7S/c1-27-11-6-8-12(9-7-11)29(25,26)20-15(18)10-16(19-20)28-17(22)13-4-2-3-5-14(13)21(23)24/h2-10H,18H2,1H3
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Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302008
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2c(Cl)cccc2Cl)cc1N
Show InChI InChI=1S/C17H13Cl2N3O5S/c1-26-10-5-7-11(8-6-10)28(24,25)22-14(20)9-15(21-22)27-17(23)16-12(18)3-2-4-13(16)19/h2-9H,20H2,1H3
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Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302009
PNG
(5-amino-1-(4-methoxyphenylsulfonyl)-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2OC)cc1N
Show InChI InChI=1S/C18H17N3O6S/c1-25-12-7-9-13(10-8-12)28(23,24)21-16(19)11-17(20-21)27-18(22)14-5-3-4-6-15(14)26-2/h3-11H,19H2,1-2H3
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Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50302016
PNG
(2-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl)-1...)
Show SMILES COc1ccc(Cn2nc(C)cc2CC(O)c2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12,20,23H,13-14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics

Curated by ChEMBL


Assay Description
Inhibition of WNV NS2B-NS3 protease by fluorescence assay


Bioorg Med Chem Lett 19: 5773-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.150
BindingDB Entry DOI: 10.7270/Q2DZ08DP
More data for this
Ligand-Target Pair