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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3927   
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
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



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39394
PNG
(2-bromobenzoic acid [5-amino-1-(4-methoxyphenyl)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2Br)cc1N
Show InChI InChI=1S/C17H14BrN3O5S/c1-25-11-6-8-12(9-7-11)27(23,24)21-15(19)10-16(20-21)26-17(22)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3
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n/an/a 297n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM32761
PNG
(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O6S/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)24-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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n/an/a 553n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM32783
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-fluorophe...)
Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3O4S2/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)22-14(19)11-2-1-7-23-11/h1-8H,16H2
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n/an/a 1.16E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39396
PNG
(2-bromobenzoic acid (5-amino-1-besyl-pyrazol-3-yl)...)
Show SMILES Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12BrN3O4S/c17-13-9-5-4-8-12(13)16(21)24-15-10-14(18)20(19-15)25(22,23)11-6-2-1-3-7-11/h1-10H,18H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
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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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM32756
PNG
(2-furancarboxylic acid [5-amino-1-(4-fluorophenyl)...)
Show SMILES Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM32784
PNG
(2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...)
Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM32755
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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n/an/a 2.41E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM31997
PNG
(6-Methoxy-3-methyl-1H-benzo[de]cinnoline | MLS0000...)
Show SMILES COc1ccc2c(C)n[nH]c3cccc1c23
Show InChI InChI=1S/C13H12N2O/c1-8-9-6-7-12(16-2)10-4-3-5-11(13(9)10)15-14-8/h3-7,15H,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM32665
PNG
(2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39418
PNG
(2-(p-anisidinomethylene)cyclohexane-1,3-quinone | ...)
Show SMILES [#6]-[#8]-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1
Show InChI InChI=1S/C14H15NO3/c1-18-11-7-5-10(6-8-11)15-9-12-13(16)3-2-4-14(12)17/h5-9,15H,2-4H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39379
PNG
(MLS000053522 | SMR000064233 | [4-(2,3-dimethylphen...)
Show SMILES CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-4-31(29,30)27-17-21-10-6-5-9-20(21)16-23(27)24(28)26-14-12-25(13-15-26)22-11-7-8-18(2)19(22)3/h5-11,23H,4,12-17H2,1-3H3
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n/an/a 3.86E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
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n/an/a 4.77E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39325
PNG
(MLS000072990 | N-(6-Methoxy-benzothiazol-2-yl)-2-(...)
Show SMILES COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
Show InChI InChI=1S/C17H15N5O2S2/c1-22-15-12(4-3-7-18-15)20-17(22)25-9-14(23)21-16-19-11-6-5-10(24-2)8-13(11)26-16/h3-8H,9H2,1-2H3,(H,19,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39326
PNG
(Furan-2-carboxylic acid [4-(4-chloro-phenyl)-thiaz...)
Show SMILES Clc1ccc(cc1)-c1csc(n1)N(CCCN1CCOCC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-16(5-7-17)18-15-29-21(23-18)25(20(26)19-3-1-12-28-19)9-2-8-24-10-13-27-14-11-24/h1,3-7,12,15H,2,8-11,13-14H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39327
PNG
(MLS000032086 | N'-[2-(cyclopentylamino)-2-keto-eth...)
Show SMILES CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1
Show InChI InChI=1S/C23H30N4O5/c1-3-31-19-11-7-6-10-18(19)27(15-22(29)24-17-8-4-5-9-17)23(30)13-12-21(28)25-20-14-16(2)32-26-20/h6-7,10-11,14,17H,3-5,8-9,12-13,15H2,1-2H3,(H,24,29)(H,25,26,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM34200
PNG
(6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]qu...)
Show SMILES COc1ccc(CCNC(=O)c2c(O)n3CCc4cccc(c34)c2=O)cc1
Show InChI InChI=1S/C21H20N2O4/c1-27-15-7-5-13(6-8-15)9-11-22-20(25)17-19(24)16-4-2-3-14-10-12-23(18(14)16)21(17)26/h2-8,26H,9-12H2,1H3,(H,22,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39328
PNG
(MLS000034055 | N-[1-[2-(2-chloranylphenoxy)ethyl]b...)
Show SMILES CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl
Show InChI InChI=1S/C17H16ClN3O2/c1-12(22)19-17-20-14-7-3-4-8-15(14)21(17)10-11-23-16-9-5-2-6-13(16)18/h2-9H,10-11H2,1H3,(H,19,20,22)
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Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM34205
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
Show InChI InChI=1S/C18H18N4O3S/c1-9(2)16-20-21-18(26-16)19-15(24)12-14(23)11-7-3-5-10-6-4-8-22(13(10)11)17(12)25/h3,5,7,9,25H,4,6,8H2,1-2H3,(H,19,21,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39329
PNG
(1-(6-Methyl-2-phenyl-pyrimidin-4-yl)-piperidine-4-...)
Show SMILES Cc1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H30N4O/c1-17-16-21(26-22(24-17)18-8-4-2-5-9-18)27-14-12-19(13-15-27)23(28)25-20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15H2,1H3,(H,25,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39330
PNG
(MLS000032151 | N-(3,5-Dimethyl-phenyl)-2-[4-(2-met...)
Show SMILES COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 |(10.62,-.8,;10.3,.7,;11.45,1.74,;12.91,1.26,;14.05,2.29,;13.73,3.8,;12.27,4.27,;11.13,3.24,;9.66,3.72,;9.18,5.18,;10.09,6.43,;7.64,5.18,;7.17,3.72,;8.41,2.81,;8.41,1.27,;7.08,.5,;7.08,-1.04,;8.41,-1.81,;5.75,-1.81,;5.75,-3.35,;7.08,-4.12,;7.08,-5.66,;8.41,-6.43,;5.75,-6.43,;4.41,-5.66,;3.08,-6.43,;4.41,-4.12,)|
Show InChI InChI=1S/C20H22N4O2S/c1-13-9-14(2)11-16(10-13)21-19(25)12-27-20-23-22-15(3)24(20)17-7-5-6-8-18(17)26-4/h5-11H,12H2,1-4H3,(H,21,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39331
PNG
(3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphth...)
Show SMILES CCn1cc(C(=O)Nc2cccc(c2)C(=O)OC)c(=O)c2ccc(C)nc12
Show InChI InChI=1S/C20H19N3O4/c1-4-23-11-16(17(24)15-9-8-12(2)21-18(15)23)19(25)22-14-7-5-6-13(10-14)20(26)27-3/h5-11H,4H2,1-3H3,(H,22,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39332
PNG
(4-(2-Oxo-1-oxa-spiro[4.5]dec-3-en-4-yl)-piperazine...)
Show SMILES CCOC(=O)N1CCN(CC1)C1=CC(=O)OC11CCCCC1 |t:12|
Show InChI InChI=1S/C16H24N2O4/c1-2-21-15(20)18-10-8-17(9-11-18)13-12-14(19)22-16(13)6-4-3-5-7-16/h12H,2-11H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39333
PNG
(Adamantane-1-carboxylic acid (6-butyrylamino-pyrid...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ccc(NC(=O)CCC)nc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
Show InChI InChI=1S/C20H27N3O2/c1-2-3-18(24)23-17-5-4-16(12-21-17)22-19(25)20-9-13-6-14(10-20)8-15(7-13)11-20/h4-5,12-15H,2-3,6-11H2,1H3,(H,22,25)(H,21,23,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39334
PNG
(MLS000073448 | N-(2,3-Dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES CCCn1c(SCC(=O)Nc2ccc3OCCOc3c2)nnc1-c1ccco1
Show InChI InChI=1S/C19H20N4O4S/c1-2-7-23-18(15-4-3-8-25-15)21-22-19(23)28-12-17(24)20-13-5-6-14-16(11-13)27-10-9-26-14/h3-6,8,11H,2,7,9-10,12H2,1H3,(H,20,24)
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Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39335
PNG
(MLS000070319 | N-(2,5-dimethoxyphenyl)-2-thiophene...)
Show SMILES COc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C12H13NO4S2/c1-16-9-5-6-11(17-2)10(8-9)13-19(14,15)12-4-3-7-18-12/h3-8,13H,1-2H3
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Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39336
PNG
(1-(4-Methoxycarbonyl-benzenesulfonyl)-piperidine-4...)
Show SMILES CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C16H21NO6S/c1-3-23-16(19)13-8-10-17(11-9-13)24(20,21)14-6-4-12(5-7-14)15(18)22-2/h4-7,13H,3,8-11H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39337
PNG
(3-(4-Chloro-benzenesulfonyl)-1,3,5-triaza-bicyclo[...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CN2CCN(C2)C1
Show InChI InChI=1S/C11H14ClN3O2S/c12-10-1-3-11(4-2-10)18(16,17)15-8-13-5-6-14(7-13)9-15/h1-4H,5-9H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM37631
PNG
(ALTRETAMINE | MLS000069621 | SMR000058181 | cid_21...)
Show SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Show InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39338
PNG
(ANISOTROPINE METHYLBROMIDE | MLS000028664 | SMR000...)
Show SMILES CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C
Show InChI InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16?
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM50286920
PNG
((+-)-Trichlorfon | 1-Hydroxy-2,2,2-trichloroethylp...)
Show SMILES COP(=O)(OC)C(O)C(Cl)(Cl)Cl
Show InChI InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
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Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39339
PNG
((E)-1-[(2S)-2-amino-2-carboxy-ethoxy]-2-diazonio-e...)
Show SMILES NC(COC(=O)[CH-][N+]#N)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39340
PNG
(4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39343
PNG
((E)-3-(3,4-dimethoxyphenyl)-2-(3-pyridinyl)-2-prop...)
Show SMILES COc1ccc(\C=C(\C#N)c2cccnc2)cc1OC
Show InChI InChI=1S/C16H14N2O2/c1-19-15-6-5-12(9-16(15)20-2)8-14(10-17)13-4-3-7-18-11-13/h3-9,11H,1-2H3/b14-8-
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM50027886
PNG
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39345
PNG
(5,5-DIPHENYLHYDANTOIN SODIUM SALT | MLS000028562 |...)
Show SMILES O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)/p-1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM11023
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39347
PNG
(CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...)
Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13|
Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39348
PNG
(MLS000069533 | PIPERACILLIN SODIUM SALT | Piperaci...)
Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/p-1/t13-,14-,15+,20-/m1/s1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM39349
PNG
(MLS000028526 | N-methyl-N-(3-methylphenyl)carbamot...)
Show SMILES CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1
Show InChI InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
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