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PubChem AID 653

Compile data set for download or QSAR
Found 126 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/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 1.05E+5n/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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n/an/a 1.10E+5n/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)
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 2.97E+5n/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 5.53E+5n/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+6n/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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n/an/a 1.26E+6n/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)
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+6n/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)
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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n/an/a 1.65E+6n/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)
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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n/an/a 2.38E+6n/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)
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 2.40E+6n/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+7n/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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n/an/a 1.44E+7n/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)
BDBM39418
PNG
(2-(p-anisidinomethylene)cyclohexane-1,3-quinone | ...)
Show SMILES COc1ccc(NC=C2C(=O)CCCC2=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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n/an/a 3.41E+7n/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)
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+7n/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+7n/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)
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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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)
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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n/an/a>5.00E+7n/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)
BDBM39357
PNG
(6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole | 6...)
Show SMILES COc1ccc(cc1)-c1cn2ccsc2n1
Show InChI InChI=1S/C12H10N2OS/c1-15-10-4-2-9(3-5-10)11-8-14-6-7-16-12(14)13-11/h2-8H,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)
BDBM39364
PNG
(MLS000039074 | N-[4-[5-(2-furanyl)-1,3,4-oxadiazol...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
Show InChI InChI=1S/C21H17N3O4/c1-14-4-10-17(11-5-14)27-13-19(25)22-16-8-6-15(7-9-16)20-23-24-21(28-20)18-3-2-12-26-18/h2-12H,13H2,1H3,(H,22,25)
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n/an/a>5.00E+7n/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)
BDBM39372
PNG
(2-amino-6-ethyl-5-methyl-4-(1-methyl-2-pyrrolyl)-3...)
Show SMILES CCc1nc(N)c(C#N)c(-c2cccn2C)c1C
Show InChI InChI=1S/C14H16N4/c1-4-11-9(2)13(10(8-15)14(16)17-11)12-6-5-7-18(12)3/h5-7H,4H2,1-3H3,(H2,16,17)
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n/an/a>5.00E+7n/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)
BDBM39373
PNG
((2S)-2-(3-butoxypropylcarbamoylamino)-4-methyl-pen...)
Show SMILES CCCCOCCCNC(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-4-5-8-20-9-6-7-15-14(19)16-12(13(17)18)10-11(2)3/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
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n/an/a>5.00E+7n/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)
BDBM39384
PNG
(2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N...)
Show SMILES CC(N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1ncc(C)s1
Show InChI InChI=1S/C15H17N3O3S/c1-8-7-16-15(22-8)17-12(19)9(2)18-13(20)10-5-3-4-6-11(10)14(18)21/h3-4,7,9-11H,5-6H2,1-2H3,(H,16,17,19)
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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)
BDBM39388
PNG
(3-[2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-thiazol...)
Show SMILES COc1cccc2cc(-c3csc(CCn4nc(C)cc4C)n3)c(=O)oc12
Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)23(22-12)8-7-18-21-16(11-27-18)15-10-14-5-4-6-17(25-3)19(14)26-20(15)24/h4-6,9-11H,7-8H2,1-3H3
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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)
BDBM39392
PNG
(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxy...)
Show SMILES COc1ccc2[nH]c(C(O)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H16N2O4/c1-8(17)15-6-5-10-11-7-9(20-2)3-4-12(11)16-13(10)14(18)19/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)(H,18,19)
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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)
BDBM39412
PNG
(3-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-y...)
Show SMILES O=C(N1CCN(CC1)c1ccc(nn1)N1CCOCC1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H23N5O4/c28-21(17-15-16-3-1-2-4-18(16)31-22(17)29)27-9-7-25(8-10-27)19-5-6-20(24-23-19)26-11-13-30-14-12-26/h1-6,15H,7-14H2
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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)
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)
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)
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
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)
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)
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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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)
BDBM39350
PNG
(CINOXACIN | MLS000069630 | SMR000058232 | cid_2762)
Show SMILES CCn1nc(C(O)=O)c(=O)c2cc3OCOc3cc12
Show InChI InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
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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)
BDBM39351
PNG
(CHLOROTHIAZIDE | MLS000028398 | SMR000058429 | cid...)
Show SMILES NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
Show InChI InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
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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)
BDBM39358
PNG
(2-[(3-allyl-4-keto-7-methyl-6,8-dihydro-5H-pyrido[...)
Show SMILES COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1CC=C
Show InChI InChI=1S/C16H19N3O3S2/c1-4-6-19-15(21)13-10-5-7-18(2)8-11(10)24-14(13)17-16(19)23-9-12(20)22-3/h4H,1,5-9H2,2-3H3
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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)
BDBM39360
PNG
(1-(2-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxidanyl...)
Show SMILES COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H25N3O5S/c1-31-20-10-6-5-9-19(20)27-23(30)18(15-17-7-3-2-4-8-17)22(29)25-24(27)33-16-21(28)26-11-13-32-14-12-26/h2-10,29H,11-16H2,1H3
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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)
BDBM39363
PNG
(7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-1,5...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(n2ncc(C(O)=O)c2N1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O5/c1-26-11-4-8(5-12(27-2)14(11)28-3)10-6-13(17(18,19)20)23-15(22-10)9(7-21-23)16(24)25/h4-5,7,10,13,22H,6H2,1-3H3,(H,24,25)
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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)
BDBM39367
PNG
(4-ethoxy-4-keto-3-piperidino-butyric acid | 4-etho...)
Show SMILES CCOC(=O)C(CC(O)=O)N1CCCCC1
Show InChI InChI=1S/C11H19NO4/c1-2-16-11(15)9(8-10(13)14)12-6-4-3-5-7-12/h9H,2-8H2,1H3,(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)
BDBM30084
PNG
(cid_662872 | triazolothiadiazine, 8C)
Show SMILES COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(OC)cc1
Show InChI InChI=1S/C18H16N4O2S/c1-23-14-7-3-12(4-8-14)16-11-25-18-20-19-17(22(18)21-16)13-5-9-15(24-2)10-6-13/h3-10H,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)
BDBM39377
PNG
((2-oxidanylideneoxolan-3-yl) 3-methyl-1-phenyl-thi...)
Show SMILES Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)OC1CCOC1=O
Show InChI InChI=1S/C17H14N2O4S/c1-10-12-9-14(17(21)23-13-7-8-22-16(13)20)24-15(12)19(18-10)11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3
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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)
BDBM39383
PNG
(5-[[[5-[(5-carbomethoxy-2-furyl)methylthio]-1,3,4-...)
Show SMILES COC(=O)c1ccc(CSc2nnc(SCc3ccc(o3)C(=O)OC)s2)o1
Show InChI InChI=1S/C16H14N2O6S3/c1-21-13(19)11-5-3-9(23-11)7-25-15-17-18-16(27-15)26-8-10-4-6-12(24-10)14(20)22-2/h3-6H,7-8H2,1-2H3
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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)
BDBM31700
PNG
((5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(2-furyl)[...)
Show SMILES COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
Show InChI InChI=1S/C16H10BrN3O3S/c1-22-11-5-4-10(17)7-9(11)8-13-15(21)20-16(24-13)18-14(19-20)12-3-2-6-23-12/h2-8H,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)
BDBM39393
PNG
(MLS000096189 | N-(4-fluorobenzyl)-1-(3-methylbutyl...)
Show SMILES CC(C)CCN1CC(CC1=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H23FN2O2/c1-12(2)7-8-20-11-14(9-16(20)21)17(22)19-10-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
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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)
BDBM35407
PNG
(8-(cyclohexoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1
Show InChI InChI=1S/C20H23NO4/c22-19(23)18-15-8-4-7-14(15)16-11-12(9-10-17(16)21-18)20(24)25-13-5-2-1-3-6-13/h4,7,9-11,13-15,18,21H,1-3,5-6,8H2,(H,22,23)
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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)
BDBM39404
PNG
(MLS000088265 | N-(3-carbazol-9-yl-2-hydroxy-propyl...)
Show SMILES OCCN(CC(O)Cn1c2ccccc2c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN2O4S/c24-17-9-11-19(12-10-17)31(29,30)25(13-14-27)15-18(28)16-26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26/h1-12,18,27-28H,13-16H2
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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)
BDBM39405
PNG
(MLS000065411 | N-(3-chloro-4-methylphenyl)-5-oxo-4...)
Show SMILES Cc1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1Cl
Show InChI InChI=1S/C16H16ClNO3/c1-7-2-3-9(6-11(7)17)18-15(19)13-8-4-10-12(5-8)21-16(20)14(10)13/h2-3,6,8,10,12-14H,4-5H2,1H3,(H,18,19)
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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)
BDBM39411
PNG
(1-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-...)
Show SMILES COc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3NC(=O)CCc3c2)c1
Show InChI InChI=1S/C23H27N3O5S/c1-31-19-4-2-3-16(13-19)15-24-23(28)17-9-11-26(12-10-17)32(29,30)20-6-7-21-18(14-20)5-8-22(27)25-21/h2-4,6-7,13-14,17H,5,8-12,15H2,1H3,(H,24,28)(H,25,27)
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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)
BDBM39413
PNG
(MLS000115316 | N-(5-bromo-2-p-anisoyl-benzofuran-3...)
Show SMILES COc1ccc(cc1)C(=O)c1oc2ccc(Br)cc2c1NC(C)=O
Show InChI InChI=1S/C18H14BrNO4/c1-10(21)20-16-14-9-12(19)5-8-15(14)24-18(16)17(22)11-3-6-13(23-2)7-4-11/h3-9H,1-2H3,(H,20,21)
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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)
BDBM39414
PNG
(5-(4-methoxyphenyl)-7-(3-methylphenyl)-1,5,6,7-tet...)
Show SMILES COc1ccc(cc1)C1CC(c2cccc(C)c2)n2ncnc2N1
Show InChI InChI=1S/C19H20N4O/c1-13-4-3-5-15(10-13)18-11-17(22-19-20-12-21-23(18)19)14-6-8-16(24-2)9-7-14/h3-10,12,17-18H,11H2,1-2H3,(H,20,21,22)
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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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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 CCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1
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)
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)
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)
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,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)
BDBM39352
PNG
(1,6-dimethyl-3,4-bis(1-piperidinylmethyl)-3a,6a-di...)
Show SMILES CN1C2C(N(CN3CCCCC3)C1=O)N(CN1CCCCC1)C(=O)N2C
Show InChI InChI=1S/C18H32N6O2/c1-19-15-16(23(17(19)25)13-21-9-5-3-6-10-21)24(18(26)20(15)2)14-22-11-7-4-8-12-22/h15-16H,3-14H2,1-2H3
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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)
BDBM39353
PNG
(1-benzyl-3-(2-hydroximinopropyl)-3-hydroxy-oxindol...)
Show SMILES CC(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc12)N=O
Show InChI InChI=1S/C18H18N2O3/c1-13(19-23)11-18(22)15-9-5-6-10-16(15)20(17(18)21)12-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3
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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)
BDBM39356
PNG
(3-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2...)
Show SMILES Brc1cccc(c1)-c1cnc2CCCCCn12
Show InChI InChI=1S/C14H15BrN2/c15-12-6-4-5-11(9-12)13-10-16-14-7-2-1-3-8-17(13)14/h4-6,9-10H,1-3,7-8H2
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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)
BDBM39371
PNG
(5-methoxy-1,2-dimethyl-4-[(2-piperidinoacetyl)amin...)
Show SMILES CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCCC3)c12
Show InChI InChI=1S/C21H29N3O4/c1-5-28-21(26)18-14(2)23(3)15-9-10-16(27-4)20(19(15)18)22-17(25)13-24-11-7-6-8-12-24/h9-10H,5-8,11-13H2,1-4H3,(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)
BDBM30767
PNG
(3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-metho...)
Show SMILES COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H16N2O6/c1-24-11-4-5-12-13(8-11)20-17(19(23)25-2)16(12)21-18(22)10-3-6-14-15(7-10)27-9-26-14/h3-8,20H,9H2,1-2H3,(H,21,22)
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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)
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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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)
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)
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)
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
Genome polyprotein


(West Nile virus)
BDBM39359
PNG
(3-bromanyl-1-[(propan-2-ylamino)methyl]-6,7,8,9-te...)
Show SMILES CC(C)NCc1c(O)c(Br)cc2oc3CCCCc3c12
Show InChI InChI=1S/C16H20BrNO2/c1-9(2)18-8-11-15-10-5-3-4-6-13(10)20-14(15)7-12(17)16(11)19/h7,9,18-19H,3-6,8H2,1-2H3
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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)
BDBM39365
PNG
(1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2,2,2...)
Show SMILES CCSc1nnc(NC(=O)NCC(F)(F)F)s1
Show InChI InChI=1S/C7H9F3N4OS2/c1-2-16-6-14-13-5(17-6)12-4(15)11-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,15)
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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)
BDBM39369
PNG
(1-isopropyl-2-(3-pyridyl)imidazo[4,5-c]pyridine | ...)
Show SMILES CC(C)n1c(nc2cnccc12)-c1cccnc1
Show InChI InChI=1S/C14H14N4/c1-10(2)18-13-5-7-16-9-12(13)17-14(18)11-4-3-6-15-8-11/h3-10H,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)
BDBM39374
PNG
(5-methyl-2-phenyl-3-pyridazino[4,3-b]indolone | 5-...)
Show SMILES Cn1c2ccccc2c2nn(-c3ccccc3)c(=O)cc12
Show InChI InChI=1S/C17H13N3O/c1-19-14-10-6-5-9-13(14)17-15(19)11-16(21)20(18-17)12-7-3-2-4-8-12/h2-11H,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)
BDBM39385
PNG
(MLS000082173 | N-[(4-ethyl-1-piperazinyl)methyl]-2...)
Show SMILES CCN1CCN(CNC(=O)c2cnccn2)CC1
Show InChI InChI=1S/C12H19N5O/c1-2-16-5-7-17(8-6-16)10-15-12(18)11-9-13-3-4-14-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,18)
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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)
BDBM39386
PNG
(MLS000056809 | SMR000066381 | cid_1190244)
Show SMILES Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C
Show InChI InChI=1S/C20H16N4O2S/c1-11-12(2)27-19-16(11)20(25)24-18(22-19)15-8-4-3-7-14(15)17(23-24)21-10-13-6-5-9-26-13/h3-9H,10H2,1-2H3,(H,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)
BDBM39391
PNG
(MLS000094397 | N-[2-[4-(4-methoxyphenyl)-1-piperaz...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)Oc1ccccc1)c1cccnc1
Show InChI InChI=1S/C25H28N4O3/c1-31-22-11-9-21(10-12-22)28-14-16-29(17-15-28)24(20-6-5-13-26-18-20)19-27-25(30)32-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)
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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)
BDBM39406
PNG
(MLS000063766 | N-cyclohexyl-1-methyl-1H-1,2,3-benz...)
Show SMILES Cn1nnc2cc(ccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C14H18N4O/c1-18-13-8-7-10(9-12(13)16-17-18)14(19)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,19)
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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)
BDBM39416
PNG
(2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydrobe...)
Show SMILES COC(=O)c1c(NC(=O)C2CC2)sc2CCCCc12
Show InChI InChI=1S/C14H17NO3S/c1-18-14(17)11-9-4-2-3-5-10(9)19-13(11)15-12(16)8-6-7-8/h8H,2-7H2,1H3,(H,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)
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/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)
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
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)
BDBM39362
PNG
(5-[(2-oxidanylideneazepan-1-yl)methyl]-5-prop-2-en...)
Show SMILES C=CCC1(CN2CCCCCC2=O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C14H19N3O4/c1-2-7-14(11(19)15-13(21)16-12(14)20)9-17-8-5-3-4-6-10(17)18/h2H,1,3-9H2,(H2,15,16,19,20,21)
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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)
BDBM39366
PNG
(4-[5-[(4-fluorobenzyl)thio]tetrazol-1-yl]benzamide...)
Show SMILES NC(=O)c1ccc(cc1)-n1nnnc1SCc1ccc(F)cc1
Show InChI InChI=1S/C15H12FN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22)
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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)
BDBM39387
PNG
(MLS000053693 | N-ethyl-N-[2-(2-methoxyanilino)-2-o...)
Show SMILES CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2CC1C=C2
Show InChI InChI=1S/C19H24N2O3/c1-3-21(19(23)15-11-13-8-9-14(15)10-13)12-18(22)20-16-6-4-5-7-17(16)24-2/h4-9,13-15H,3,10-12H2,1-2H3,(H,20,22)
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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)
BDBM39389
PNG
(1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2...)
Show SMILES Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc3nonc23)nc1
Show InChI InChI=1S/C18H19N5O4S/c1-12-5-6-16(19-11-12)20-18(24)13-7-9-23(10-8-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-6,11,13H,7-10H2,1H3,(H,19,20,24)
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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)
BDBM39398
PNG
(2-[[1-oxo-3-phenyl-2-(thiophen-2-ylsulfonylamino)p...)
Show SMILES CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C17H20N2O5S2/c1-2-24-15(20)12-18-17(21)14(11-13-7-4-3-5-8-13)19-26(22,23)16-9-6-10-25-16/h3-10,14,19H,2,11-12H2,1H3,(H,18,21)
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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)
BDBM39399
PNG
(5-[(2-methylphenyl)sulfonylmethyl]-N-(3-propan-2-y...)
Show SMILES CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
Show InChI InChI=1S/C19H25NO5S/c1-14(2)24-12-6-11-20-19(21)17-10-9-16(25-17)13-26(22,23)18-8-5-4-7-15(18)3/h4-5,7-10,14H,6,11-13H2,1-3H3,(H,20,21)
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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)
BDBM39410
PNG
((6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea...)
Show SMILES NC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H14ClN3O/c14-7-4-5-10-9(6-7)8-2-1-3-11(12(8)16-10)17-13(15)18/h4-6,11,16H,1-3H2,(H3,15,17,18)
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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)
BDBM39415
PNG
(6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl...)
Show SMILES Cc1csc2nc(CNC(=O)C3CC=CCC3C(O)=O)cn12
Show InChI InChI=1S/C15H17N3O3S/c1-9-8-22-15-17-10(7-18(9)15)6-16-13(19)11-4-2-3-5-12(11)14(20)21/h2-3,7-8,11-12H,4-6H2,1H3,(H,16,19)(H,20,21)
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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)
BDBM37499
PNG
(3-(1-oxopropylamino)-1H-indole-2-carboxylic acid e...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC
Show InChI InChI=1S/C14H16N2O3/c1-3-11(17)16-12-9-7-5-6-8-10(9)15-13(12)14(18)19-4-2/h5-8,15H,3-4H2,1-2H3,(H,16,17)
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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)
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)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/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)
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)
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)
BDBM39346
PNG
((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...)
Show SMILES CC(C)(S)[C@@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/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)
BDBM39402
PNG
(2-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-5-methy...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(N)=O)C(C)=Nc2nc(nn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-11-17(19(23)28)18(15-10-14(29-2)7-8-16(15)30-3)27-21(24-11)25-20(26-27)12-5-4-6-13(22)9-12/h4-10,17-18H,1-3H3,(H2,23,28)
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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)
BDBM39403
PNG
(MLS000092879 | N-(5-chloranyl-2-methyl-phenyl)-4-m...)
Show SMILES Cc1ncoc1C(=O)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C12H11ClN2O2/c1-7-3-4-9(13)5-10(7)15-12(16)11-8(2)14-6-17-11/h3-6H,1-2H3,(H,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)
BDBM39409
PNG
(5-(4-fluorobenzyl)-N-methyl-1,3,4-oxadiazole-2-car...)
Show SMILES CNC(=O)c1nnc(Cc2ccc(F)cc2)o1
Show InChI InChI=1S/C11H10FN3O2/c1-13-10(16)11-15-14-9(17-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16)
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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)
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)
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)
BDBM39330
PNG
(MLS000032151 | N-(3,5-Dimethyl-phenyl)-2-[4-(2-met...)
Show SMILES COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1
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)
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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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)
BDBM37537
PNG
(2-(2-imidazolin-2-ylamino)ethanol;hydroiodide | 2-...)
Show SMILES OCCNC1=NCCN1
Show InChI InChI=1S/C5H11N3O/c9-4-3-8-5-6-1-2-7-5/h9H,1-4H2,(H2,6,7,8)
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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)
BDBM39375
PNG
(MLS000040750 | SMR000045656 | cid_664589)
Show SMILES COc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)Oc2ncn3nc(nc3c12)-c1cccnc1
Show InChI InChI=1S/C27H25N5O4/c1-27(2)11-17(33)22-20(12-27)36-26-23(21(22)15-7-8-18(34-3)19(10-15)35-4)25-30-24(31-32(25)14-29-26)16-6-5-9-28-13-16/h5-10,13-14,21H,11-12H2,1-4H3
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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)
BDBM39376
PNG
(4-chloranyl-N-[3-[ethyl-[2-oxidanylidene-2-(propan...)
Show SMILES CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClN3O3/c1-4-21(11-15(22)20-12(2)3)16(23)9-10-19-17(24)13-5-7-14(18)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,19,24)(H,20,22)
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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)
BDBM39378
PNG
(2-(1,3-dioxoisoindol-2-yl)ethyl 2-fluoro-5-morphol...)
Show SMILES Fc1ccc(cc1C(=O)OCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H19FN2O7S/c22-18-6-5-14(32(28,29)23-7-10-30-11-8-23)13-17(18)21(27)31-12-9-24-19(25)15-3-1-2-4-16(15)20(24)26/h1-6,13H,7-12H2
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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)
BDBM39380
PNG
(3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylpheny...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-28(26,27)19-5-3-4-17(14-19)20(25)23-12-10-22(11-13-23)16(2)24/h3-9,14,21H,10-13H2,1-2H3
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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)
BDBM39381
PNG
(2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetra...)
Show SMILES COC(=O)CSC1=NC2=C(C(C1C#N)c1ccc(C)cc1)C(=O)CCC2
Show InChI InChI=1S/C20H20N2O3S/c1-12-6-8-13(9-7-12)18-14(10-21)20(26-11-17(24)25-2)22-15-4-3-5-16(23)19(15)18/h6-9,14,18H,3-5,11H2,1-2H3
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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)
BDBM39382
PNG
(8-[(dimethylamino)methyl]-2-methyl-7-oxidanyl-3-qu...)
Show SMILES CN(C)Cc1c(O)ccc2c1oc(C)c(-c1ccc3ccccc3n1)c2=O
Show InChI InChI=1S/C22H20N2O3/c1-13-20(18-10-8-14-6-4-5-7-17(14)23-18)21(26)15-9-11-19(25)16(12-24(2)3)22(15)27-13/h4-11,25H,12H2,1-3H3
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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)
BDBM39395
PNG
(2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,...)
Show SMILES COc1cccc(NC(=O)CSc2nc3nnc(C)c3c(N)n2-c2cccc(OC)c2)c1
Show InChI InChI=1S/C22H22N6O3S/c1-13-19-20(23)28(15-7-5-9-17(11-15)31-3)22(25-21(19)27-26-13)32-12-18(29)24-14-6-4-8-16(10-14)30-2/h4-11H,12,23H2,1-3H3,(H,24,29)
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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)
BDBM39397
PNG
(13-(4-ethylpiperazin-1-yl)carbonyl-10,11-dimethoxy...)
Show SMILES CCN1CCN(CC1)C(=O)C1C2N(CCc3ccccc23)C(=O)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H31N3O4/c1-4-27-11-13-28(14-12-27)26(31)23-19-15-21(32-2)22(33-3)16-20(19)25(30)29-10-9-17-7-5-6-8-18(17)24(23)29/h5-8,15-16,23-24H,4,9-14H2,1-3H3
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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)
BDBM39400
PNG
(2-(5-bromo-1-propionyl-indolin-7-yl)sulfonylacetic...)
Show SMILES CCC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)CC(=O)OC
Show InChI InChI=1S/C14H16BrNO5S/c1-3-12(17)16-5-4-9-6-10(15)7-11(14(9)16)22(19,20)8-13(18)21-2/h6-7H,3-5,8H2,1-2H3
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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)
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)
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)
BDBM11023
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
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
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
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)
BDBM39354
PNG
(2,2,4-trimethyl-6-oxidanylidene-3H-pyran-5-carboni...)
Show SMILES CC1=C(C#N)C(=O)OC(C)(C)C1
Show InChI InChI=1S/C9H11NO2/c1-6-4-9(2,3)12-8(11)7(6)5-10/h4H2,1-3H3
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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)
BDBM39355
PNG
(1-phenoxy-3-(3-piperidin-1-ylpropylamino)propan-2-...)
Show SMILES OC(CNCCCN1CCCCC1)COc1ccccc1
Show InChI InChI=1S/C17H28N2O2/c20-16(15-21-17-8-3-1-4-9-17)14-18-10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,16,18,20H,2,5-7,10-15H2
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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)
BDBM39361
PNG
(1-methyl-N-(1-piperidinylmethyl)-3-indolecarboxami...)
Show SMILES Cn1cc(C(=O)NCN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C16H21N3O/c1-18-11-14(13-7-3-4-8-15(13)18)16(20)17-12-19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,17,20)
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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)
BDBM39368
PNG
(4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy...)
Show SMILES COc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1
Show InChI InChI=1S/C19H20N4O4/c1-13-4-6-15(7-5-13)25-10-11-26-16-8-9-17(23-22-16)27-19-20-14(2)12-18(21-19)24-3/h4-9,12H,10-11H2,1-3H3
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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)
BDBM39370
PNG
((2E)-2-(dimethylaminomethylene)benzothiophen-3-one...)
Show SMILES CN(C)\C=C1\Sc2ccccc2C1=O
Show InChI InChI=1S/C11H11NOS/c1-12(2)7-10-11(13)8-5-3-4-6-9(8)14-10/h3-7H,1-2H3/b10-7+
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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)
BDBM39390
PNG
(1-(2-furoyl)-4-(thien-2-ylcarbonyl)-2,3,4,5-tetrah...)
Show SMILES O=C(N1CCN(Cc2ccccc12)C(=O)c1cccs1)c1ccco1
Show InChI InChI=1S/C19H16N2O3S/c22-18(16-7-3-11-24-16)21-10-9-20(19(23)17-8-4-12-25-17)13-14-5-1-2-6-15(14)21/h1-8,11-12H,9-10,13H2
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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)
BDBM39401
PNG
(4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2,9-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cn(C)c(=O)c2n(C)c3ccccc3c12
Show InChI InChI=1S/C25H26N4O3/c1-26-16-20(22-19-6-4-5-7-21(19)27(2)23(22)25(26)31)24(30)29-14-12-28(13-15-29)17-8-10-18(32-3)11-9-17/h4-11,16H,12-15H2,1-3H3
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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)
BDBM39407
PNG
(MLS000058902 | N-benzyl-N-ethyl-2-methyl-benzamide...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1ccccc1C
Show InChI InChI=1S/C17H19NO/c1-3-18(13-15-10-5-4-6-11-15)17(19)16-12-8-7-9-14(16)2/h4-12H,3,13H2,1-2H3
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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)
BDBM39408
PNG
(2-(3-cyano-7-ethyl-1-indolyl)-N-(2-furanylmethyl)a...)
Show SMILES CCc1cccc2c(cn(CC(=O)NCc3ccco3)c12)C#N
Show InChI InChI=1S/C18H17N3O2/c1-2-13-5-3-7-16-14(9-19)11-21(18(13)16)12-17(22)20-10-15-6-4-8-23-15/h3-8,11H,2,10,12H2,1H3,(H,20,22)
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n/an/a>5.00E+7n/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)
BDBM39417
PNG
(2-(4-chloroanilino)-3-(2-furanylmethyliminomethyl)...)
Show SMILES Cc1cccn2c1nc(Nc1ccc(Cl)cc1)c(\C=N\Cc1ccco1)c2=O
Show InChI InChI=1S/C21H17ClN4O2/c1-14-4-2-10-26-20(14)25-19(24-16-8-6-15(22)7-9-16)18(21(26)27)13-23-12-17-5-3-11-28-17/h2-11,13,24H,12H2,1H3/b23-13+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+7n/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
* indicates data uncertainty>20%