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Found 10 hits Enz. Inhib. hit(s) with Target = 'Dengue Virus 1 (DENV1) NS2B-NS3 Protease' AND taxid = 11053   
Target
(Institution)
LigandTarget
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
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33251
PNG
(phthalazine-based compound, 2)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)
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n/an/a 2.00E+3n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33256
PNG
(phthalazine-based compound, 7)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1
Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)
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n/an/a 2.72E+3n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33252
PNG
(phthalazine-based compound, 3)
Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1
Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)
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n/an/a 1.07E+4n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33259
PNG
(Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1
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n/an/a 1.18E+4n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33254
PNG
(phthalazine-based compound, 5)
Show SMILES NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1
Show InChI InChI=1S/C24H23N7/c25-15-16-5-9-18(10-6-16)28-23-20-3-1-2-4-21(20)24(31-30-23)29-19-11-7-17(8-12-19)22-26-13-14-27-22/h1-12H,13-15,25H2,(H,26,27)(H,28,30)(H,29,31)
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n/an/a 1.23E+4n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33257
PNG
(phthalazine-based compound, 8)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N8/c1-2-4-22-21(3-1)25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)33-34-26(22)32-20-11-7-18(8-12-20)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
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n/an/a 2.14E+4n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33250
PNG
(phthalazine-based compound, 1)
Show SMILES CC1CNC(=N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC(C)CN3)c3ccccc23)cc1
Show InChI InChI=1S/C28H28N8/c1-17-15-29-25(31-17)19-7-11-21(12-8-19)33-27-23-5-3-4-6-24(23)28(36-35-27)34-22-13-9-20(10-14-22)26-30-16-18(2)32-26/h3-14,17-18H,15-16H2,1-2H3,(H,29,31)(H,30,32)(H,33,35)(H,34,36)
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n/an/a 3.64E+4n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33258
PNG
(phthalazine-based compound, 9)
Show SMILES Nc1ccc2c(Nc3ccc(cc3)C3=NCCN3)nnc(Nc3ccc(cc3)C3=NCCN3)c2c1
Show InChI InChI=1S/C26H25N9/c27-18-5-10-21-22(15-18)26(33-20-8-3-17(4-9-20)24-30-13-14-31-24)35-34-25(21)32-19-6-1-16(2-7-19)23-28-11-12-29-23/h1-10,15H,11-14,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a>1.00E+5n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33255
PNG
(phthalazine-based compound, 6)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CNCCc4c3)c3ccccc23)cc1
Show InChI InChI=1S/C26H25N7/c1-2-4-23-22(3-1)25(30-20-8-5-17(6-9-20)24-28-13-14-29-24)32-33-26(23)31-21-10-7-19-16-27-12-11-18(19)15-21/h1-10,15,27H,11-14,16H2,(H,28,29)(H,30,32)(H,31,33)
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n/an/a 1.70E+5n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair
Dengue Virus 1 (DENV1) NS2B-NS3 Protease


(Dengue virus 1(Hawaii))
BDBM33253
PNG
(phthalazine-based compound, 4)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CCNCc4c3)c3ccccc23)cc1
Show InChI InChI=1S/C26H25N7/c1-2-4-23-22(3-1)25(30-20-8-6-18(7-9-20)24-28-13-14-29-24)32-33-26(23)31-21-10-5-17-11-12-27-16-19(17)15-21/h1-10,15,27H,11-14,16H2,(H,28,29)(H,30,32)(H,31,33)
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n/an/a 2.33E+5n/an/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Citation and Details
More data for this
Ligand-Target Pair