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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Dengue virus type 2 NS3 protein' AND taxid = 31634   
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 type 2 NS3 protein


(Dengue virus 2)
BDBM50175864
PNG
(Bz-Nle-Lys-Arg-Arg-B(OH)2 | CHEMBL199845)
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)B(O)O
Show InChI InChI=1S/C31H54BN11O7/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-33)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(44)32(49)50)15-9-18-38-30(34)35/h4-6,11-12,21-24,49-50H,2-3,7-10,13-19,33H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1
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43n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175863
PNG
(Bz-Nle-Lys-Arg-Arg-CF3 | CHEMBL200294)
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)C(F)(F)F
Show InChI InChI=1S/C32H52F3N11O5/c1-2-3-13-22(44-26(48)20-11-5-4-6-12-20)28(50)45-23(14-7-8-17-36)29(51)46-24(16-10-19-42-31(39)40)27(49)43-21(25(47)32(33,34)35)15-9-18-41-30(37)38/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1
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850n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175982
PNG
(Bz-Lys-Arg-Arg-H | CHEMBL199510)
Show SMILES NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C25H42N10O4/c26-13-5-4-11-19(34-21(37)17-8-2-1-3-9-17)23(39)35-20(12-7-15-32-25(29)30)22(38)33-18(16-36)10-6-14-31-24(27)28/h1-3,8-9,16,18-20H,4-7,10-15,26H2,(H,33,38)(H,34,37)(H,35,39)(H4,27,28,31)(H4,29,30,32)/t18-,19-,20-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175984
PNG
(BZ-Nle-Lys-Arg-(4-guanidinyl)-Phe-H | Bz-Nle-Lys-A...)
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](Cc1ccc(cc1)N=C(N)N)C=O
Show InChI InChI=1S/C35H53N11O5/c1-2-3-12-27(44-30(48)24-10-5-4-6-11-24)32(50)45-28(13-7-8-19-36)33(51)46-29(14-9-20-41-34(37)38)31(49)42-26(22-47)21-23-15-17-25(18-16-23)43-35(39)40/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,42,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t26-,27-,28-,29-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175976
PNG
(Bz-Ala-Lys-Arg-Arg-H | CHEMBL197765)
Show SMILES C[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/C28H47N11O5/c1-18(36-24(42)19-9-3-2-4-10-19)23(41)38-21(12-5-6-14-29)26(44)39-22(13-8-16-35-28(32)33)25(43)37-20(17-40)11-7-15-34-27(30)31/h2-4,9-10,17-18,20-22H,5-8,11-16,29H2,1H3,(H,36,42)(H,37,43)(H,38,41)(H,39,44)(H4,30,31,34)(H4,32,33,35)/t18-,20-,21-,22-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
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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5.80E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
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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5.80E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175988
PNG
(Bz-Nle-Lys-Arg-(p-Me)Phe-H | CHEMBL199396)
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](Cc1ccc(C)cc1)C=O
Show InChI InChI=1S/C35H52N8O5/c1-3-4-13-28(41-31(45)26-11-6-5-7-12-26)33(47)42-29(14-8-9-20-36)34(48)43-30(15-10-21-39-35(37)38)32(46)40-27(23-44)22-25-18-16-24(2)17-19-25/h5-7,11-12,16-19,23,27-30H,3-4,8-10,13-15,20-22,36H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175987
PNG
(Bz-Phe-Lys-Arg-Arg-H | CHEMBL199736)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C34H51N11O5/c35-18-8-7-16-26(44-32(50)28(21-23-11-3-1-4-12-23)45-29(47)24-13-5-2-6-14-24)31(49)43-27(17-10-20-41-34(38)39)30(48)42-25(22-46)15-9-19-40-33(36)37/h1-6,11-14,22,25-28H,7-10,15-21,35H2,(H,42,48)(H,43,49)(H,44,50)(H,45,47)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28-/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175974
PNG
(Bz-Nle-Lys-Arg-Trp-H | CHEMBL433993)
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](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C36H51N9O5/c1-2-3-15-29(43-32(47)24-12-5-4-6-13-24)34(49)44-30(17-9-10-19-37)35(50)45-31(18-11-20-40-36(38)39)33(48)42-26(23-46)21-25-22-41-28-16-8-7-14-27(25)28/h4-8,12-14,16,22-23,26,29-31,41H,2-3,9-11,15,17-21,37H2,1H3,(H,42,48)(H,43,47)(H,44,49)(H,45,50)(H4,38,39,40)/t26-,29-,30-,31-/m0/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175993
PNG
(Bz-D-Nle-Lys-Arg-Arg-H | CHEMBL201775)
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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9.40E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175978
PNG
(Bz-Nle-Lys-Arg-(p-Ph)Phe-H | CHEMBL381854)
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](Cc1ccc(cc1)-c1ccccc1)C=O
Show InChI InChI=1S/C40H54N8O5/c1-2-3-17-33(46-36(50)31-15-8-5-9-16-31)38(52)47-34(18-10-11-24-41)39(53)48-35(19-12-25-44-40(42)43)37(51)45-32(27-49)26-28-20-22-30(23-21-28)29-13-6-4-7-14-29/h4-9,13-16,20-23,27,32-35H,2-3,10-12,17-19,24-26,41H2,1H3,(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,42,43,44)/t32-,33-,34-,35-/m0/s1
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1.16E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175981
PNG
(Bz-Arg-Arg-H | CHEMBL197766)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1)C=O
Show InChI InChI=1S/C19H30N8O3/c20-18(21)24-10-4-8-14(12-28)26-17(30)15(9-5-11-25-19(22)23)27-16(29)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,26,30)(H,27,29)(H4,20,21,24)(H4,22,23,25)/t14-,15-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175985
PNG
(Bz-Nle-Phe-Arg-Arg-H | CHEMBL199582)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C34H50N10O5/c1-2-3-17-26(42-29(46)24-14-8-5-9-15-24)31(48)44-28(21-23-12-6-4-7-13-23)32(49)43-27(18-11-20-40-34(37)38)30(47)41-25(22-45)16-10-19-39-33(35)36/h4-9,12-15,22,25-28H,2-3,10-11,16-21H2,1H3,(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t25-,26-,27-,28-/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175986
PNG
(Bz-Nle-Lys-Arg-Phe-H | CHEMBL199727)
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](Cc1ccccc1)C=O
Show InChI InChI=1S/C34H50N8O5/c1-2-3-17-27(40-30(44)25-15-8-5-9-16-25)32(46)41-28(18-10-11-20-35)33(47)42-29(19-12-21-38-34(36)37)31(45)39-26(23-43)22-24-13-6-4-7-14-24/h4-9,13-16,23,26-29H,2-3,10-12,17-22,35H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,36,37,38)/t26-,27-,28-,29-/m0/s1
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1.59E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175968
PNG
(Bz-Nle-Lys-Arg-(p-CN)Phe-H | CHEMBL200095)
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](Cc1ccc(cc1)C#N)C=O
Show InChI InChI=1S/C35H49N9O5/c1-2-3-12-28(42-31(46)26-10-5-4-6-11-26)33(48)43-29(13-7-8-19-36)34(49)44-30(14-9-20-40-35(38)39)32(47)41-27(23-45)21-24-15-17-25(22-37)18-16-24/h4-6,10-11,15-18,23,27-30H,2-3,7-9,12-14,19-21,36H2,1H3,(H,41,47)(H,42,46)(H,43,48)(H,44,49)(H4,38,39,40)/t27-,28-,29-,30-/m0/s1
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1.86E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175971
PNG
(Bz-Nle-Lys-Arg-Lys-H | CHEMBL377076)
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](CCCCN)C=O
Show InChI InChI=1S/C31H53N9O5/c1-2-3-15-24(38-27(42)22-12-5-4-6-13-22)29(44)39-25(16-8-10-19-33)30(45)40-26(17-11-20-36-31(34)35)28(43)37-23(21-41)14-7-9-18-32/h4-6,12-13,21,23-26H,2-3,7-11,14-20,32-33H2,1H3,(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1
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2.05E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50185447
PNG
((-)-hydroxypanduratin A | 4-hydroxypanduratin A | ...)
Show SMILES CC(C)=CC[C@H]1[C@H]([C@@H](CC=C1C)c1ccccc1)C(=O)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C25H28O4/c1-15(2)9-11-19-16(3)10-12-20(17-7-5-4-6-8-17)23(19)25(29)24-21(27)13-18(26)14-22(24)28/h4-10,13-14,19-20,23,26-28H,11-12H2,1-3H3/t19-,20+,23-/m1/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Sunway University College

Curated by ChEMBL


Assay Description
Inhibition of dengue2 virus NS3 protease


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175970
PNG
(Bz-Nle-Ala-Arg-Arg-H | CHEMBL369916)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C28H46N10O5/c1-3-4-13-21(38-24(41)19-10-6-5-7-11-19)25(42)35-18(2)23(40)37-22(14-9-16-34-28(31)32)26(43)36-20(17-39)12-8-15-33-27(29)30/h5-7,10-11,17-18,20-22H,3-4,8-9,12-16H2,1-2H3,(H,35,42)(H,36,43)(H,37,40)(H,38,41)(H4,29,30,33)(H4,31,32,34)/t18-,20-,21-,22-/m0/s1
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2.21E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50185449
PNG
((-)-panduratin A | CHEMBL379110 | panduratin A)
Show SMILES COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1
Show InChI InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Sunway University College

Curated by ChEMBL


Assay Description
Inhibition of dengue2 virus NS3 protease


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175975
PNG
(Bz-Nle-D-Lys-Arg-Arg-H | CHEMBL370138)
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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2.86E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175991
PNG
(Bz-Nle-Lys-Arg-Phg-H | CHEMBL200972)
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](C=O)c1ccccc1
Show InChI InChI=1S/C33H48N8O5/c1-2-3-17-25(38-29(43)24-15-8-5-9-16-24)30(44)39-26(18-10-11-20-34)31(45)40-27(19-12-21-37-33(35)36)32(46)41-28(22-42)23-13-6-4-7-14-23/h4-9,13-16,22,25-28H,2-3,10-12,17-21,34H2,1H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H4,35,36,37)/t25-,26-,27-,28+/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175990
PNG
(Bz-Nle-Lys-Phe-Arg-H | CHEMBL435122)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C34H50N8O5/c1-2-3-18-27(40-30(44)25-15-8-5-9-16-25)31(45)41-28(19-10-11-20-35)32(46)42-29(22-24-13-6-4-7-14-24)33(47)39-26(23-43)17-12-21-38-34(36)37/h4-9,13-16,23,26-29H,2-3,10-12,17-22,35H2,1H3,(H,39,47)(H,40,44)(H,41,45)(H,42,46)(H4,36,37,38)/t26-,27-,28-,29-/m0/s1
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4.07E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175977
PNG
(Bz-Nle-Lys-Lys-Arg-H | CHEMBL201609)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C31H53N9O5/c1-2-3-15-24(38-27(42)22-12-5-4-6-13-22)29(44)40-26(17-8-10-19-33)30(45)39-25(16-7-9-18-32)28(43)37-23(21-41)14-11-20-36-31(34)35/h4-6,12-13,21,23-26H,2-3,7-11,14-20,32-33H2,1H3,(H,37,43)(H,38,42)(H,39,45)(H,40,44)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1
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4.13E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50228800
PNG
(Bz-Nle-Lys-Arg-Arg-Thiazole | CHEMBL271094 | N-((S...)
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)c1nccs1
Show InChI InChI=1S/C34H54N12O5S/c1-2-3-13-24(44-28(48)22-11-5-4-6-12-22)30(50)45-25(14-7-8-17-35)31(51)46-26(16-10-19-42-34(38)39)29(49)43-23(15-9-18-41-33(36)37)27(47)32-40-20-21-52-32/h4-6,11-12,20-21,23-26H,2-3,7-10,13-19,35H2,1H3,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,36,37,41)(H4,38,39,42)/t23-,24-,25-,26-/m0/s1
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4.28E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175969
PNG
(Bz-N-Me-Nle-Lys-Arg-Arg-H | CHEMBL382143)
Show SMILES CCCC[C@H](N(C)C(=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/C32H55N11O5/c1-3-4-17-26(43(2)30(48)22-12-6-5-7-13-22)29(47)42-24(15-8-9-18-33)28(46)41-25(16-11-20-39-32(36)37)27(45)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1
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4.37E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175967
PNG
(Bz-Nle-Lys-N-Me-Arg-Arg-H | CHEMBL199726)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C32H55N11O5/c1-3-4-15-24(41-27(45)22-12-6-5-7-13-22)28(46)42-25(16-8-9-18-33)30(48)43(2)26(17-11-20-39-32(36)37)29(47)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,47)(H,41,45)(H,42,46)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1
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4.74E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175980
PNG
(Bz-Nle-Lys-Arg-D-Arg-H | CHEMBL199352)
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+/m1/s1
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5.10E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175979
PNG
(Bz-Nle-Pro-Arg-Arg-H | CHEMBL382983)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C30H48N10O5/c1-2-3-13-23(39-25(42)20-10-5-4-6-11-20)28(45)40-18-9-15-24(40)27(44)38-22(14-8-17-36-30(33)34)26(43)37-21(19-41)12-7-16-35-29(31)32/h4-6,10-11,19,21-24H,2-3,7-9,12-18H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H4,31,32,35)(H4,33,34,36)/t21-,22-,23-,24-/m0/s1
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6.14E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50228798
PNG
(Bz-Nle-Lys-Arg-Arg-Benzoxazole | CHEMBL256870 | N-...)
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)c1nc2ccccc2o1
Show InChI InChI=1S/C38H56N12O6/c1-2-3-15-27(47-32(52)24-13-5-4-6-14-24)34(54)48-28(17-9-10-21-39)35(55)49-29(19-12-23-45-38(42)43)33(53)46-26(18-11-22-44-37(40)41)31(51)36-50-25-16-7-8-20-30(25)56-36/h4-8,13-14,16,20,26-29H,2-3,9-12,15,17-19,21-23,39H2,1H3,(H,46,53)(H,47,52)(H,48,54)(H,49,55)(H4,40,41,44)(H4,42,43,45)/t26-,27-,28-,29-/m0/s1
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8.29E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175965
PNG
(Bz-Nle-Lys-Pro-Arg-H | CHEMBL199987)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C30H48N8O5/c1-2-3-14-23(36-26(40)21-11-5-4-6-12-21)27(41)37-24(15-7-8-17-31)29(43)38-19-10-16-25(38)28(42)35-22(20-39)13-9-18-34-30(32)33/h4-6,11-12,20,22-25H,2-3,7-10,13-19,31H2,1H3,(H,35,42)(H,36,40)(H,37,41)(H4,32,33,34)/t22-,23-,24-,25-/m0/s1
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1.09E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175973
PNG
(Bz-Nle-N-Me-Lys-Arg-Arg-H | CHEMBL381639)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)[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/C32H55N11O5/c1-3-4-15-25(42-27(45)22-12-6-5-7-13-22)30(48)43(2)26(17-8-9-18-33)29(47)41-24(16-11-20-39-32(36)37)28(46)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,46)(H,41,47)(H,42,45)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1
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1.13E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175989
PNG
(Bz-Nle-Lys-D-Arg-Arg-H | CHEMBL371447)
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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1.15E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175869
PNG
(Bz-Nle-Lys-Arg-Arg-NH2 | CHEMBL198384)
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(N)=O
Show InChI InChI=1S/C31H54N12O5/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-32)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(33)44)15-9-18-38-30(34)35/h4-6,11-12,21-24H,2-3,7-10,13-19,32H2,1H3,(H2,33,44)(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1
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1.28E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175972
PNG
(Bz-Nle-Lys-Arg-(p-Cl)Phe-H | CHEMBL199531)
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](Cc1ccc(Cl)cc1)C=O
Show InChI InChI=1S/C34H49ClN8O5/c1-2-3-12-27(41-30(45)24-10-5-4-6-11-24)32(47)42-28(13-7-8-19-36)33(48)43-29(14-9-20-39-34(37)38)31(46)40-26(22-44)21-23-15-17-25(35)18-16-23/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t26-,27-,28-,29-/m0/s1
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1.38E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175865
PNG
(Bz-Nle-Lys-Arg-Arg(OH)-CONH-Bn | CHEMBL369918)
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)C(=O)NCc1ccccc1
Show InChI InChI=1S/C39H62N12O6/c1-2-3-18-29(49-33(53)27-16-8-5-9-17-27)35(55)50-30(19-10-11-22-40)36(56)51-31(21-13-24-46-39(43)44)34(54)48-28(20-12-23-45-38(41)42)32(52)37(57)47-25-26-14-6-4-7-15-26/h4-9,14-17,28-32,52H,2-3,10-13,18-25,40H2,1H3,(H,47,57)(H,48,54)(H,49,53)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t28-,29-,30-,31-,32?/m0/s1
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1.78E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175966
PNG
(Bz-Nle-Lys-Arg-Ala-H | CHEMBL199376)
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](C)C=O
Show InChI InChI=1S/C28H46N8O5/c1-3-4-13-21(34-24(38)20-11-6-5-7-12-20)26(40)35-22(14-8-9-16-29)27(41)36-23(15-10-17-32-28(30)31)25(39)33-19(2)18-37/h5-7,11-12,18-19,21-23H,3-4,8-10,13-17,29H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H4,30,31,32)/t19-,21-,22-,23-/m0/s1
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1.93E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50338968
PNG
((+/-)-5-hydroxy-7-methoxyflavanone | (-)-pinostrob...)
Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1
Show InChI InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
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3.45E+5n/an/an/an/an/an/an/an/a



Sunway University College

Curated by ChEMBL


Assay Description
Inhibition of dengue2 virus NS3 protease


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50185446
PNG
((E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop...)
Show SMILES COc1cc(O)cc(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
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3.77E+5n/an/an/an/an/an/an/an/a



Sunway University College

Curated by ChEMBL


Assay Description
Inhibition of dengue2 virus NS3 protease


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175868
PNG
(Bz-Nle-Lys-Thr-Arg-H | CHEMBL199817)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C29H48N8O6/c1-3-4-14-22(35-25(40)20-11-6-5-7-12-20)26(41)36-23(15-8-9-16-30)27(42)37-24(19(2)39)28(43)34-21(18-38)13-10-17-33-29(31)32/h5-7,11-12,18-19,21-24,39H,3-4,8-10,13-17,30H2,1-2H3,(H,34,43)(H,35,40)(H,36,41)(H,37,42)(H4,31,32,33)/t19-,21+,22+,23+,24+/m1/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175860
PNG
(Bz-Nle-Lys-Thr-Arg-OH | CHEMBL383351)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C29H48N8O7/c1-3-4-13-20(34-24(39)19-11-6-5-7-12-19)25(40)35-21(14-8-9-16-30)26(41)37-23(18(2)38)27(42)36-22(28(43)44)15-10-17-33-29(31)32/h5-7,11-12,18,20-23,38H,3-4,8-10,13-17,30H2,1-2H3,(H,34,39)(H,35,40)(H,36,42)(H,37,41)(H,43,44)(H4,31,32,33)/t18-,20+,21+,22+,23+/m1/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175858
PNG
(Bz-Nle-Lys-Arg-Arg-NHSO2CF3 | CHEMBL369917)
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)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C32H53F3N12O7S/c1-2-3-13-21(43-25(48)20-11-5-4-6-12-20)26(49)44-22(14-7-8-17-36)27(50)45-23(15-9-18-41-30(37)38)28(51)46-24(16-10-19-42-31(39)40)29(52)47-55(53,54)32(33,34)35/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175983
PNG
(Bz-Nle-Lys-Ala-Arg-H | CHEMBL372963)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C28H46N8O5/c1-3-4-14-22(35-25(39)20-11-6-5-7-12-20)27(41)36-23(15-8-9-16-29)26(40)33-19(2)24(38)34-21(18-37)13-10-17-32-28(30)31/h5-7,11-12,18-19,21-23H,3-4,8-10,13-17,29H2,1-2H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)(H4,30,31,32)/t19-,21-,22-,23-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175992
PNG
(Bz-Nle-Lys-Arg-homoPhe-H | CHEMBL370338)
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](CCc1ccccc1)C=O
Show InChI InChI=1S/C35H52N8O5/c1-2-3-17-28(41-31(45)26-15-8-5-9-16-26)33(47)42-29(18-10-11-22-36)34(48)43-30(19-12-23-39-35(37)38)32(46)40-27(24-44)21-20-25-13-6-4-7-14-25/h4-9,13-16,24,27-30H,2-3,10-12,17-23,36H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175861
PNG
(Bz-Nle-Lys-Thr-Arg-NH2 | CHEMBL199549)
Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C29H49N9O6/c1-3-4-13-21(36-25(41)19-11-6-5-7-12-19)26(42)37-22(14-8-9-16-30)27(43)38-23(18(2)39)28(44)35-20(24(31)40)15-10-17-34-29(32)33/h5-7,11-12,18,20-23,39H,3-4,8-10,13-17,30H2,1-2H3,(H2,31,40)(H,35,44)(H,36,41)(H,37,42)(H,38,43)(H4,32,33,34)/t18-,20+,21+,22+,23+/m1/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175862
PNG
(Bz-Nle-Lys-Arg-Arg-H | Bz-Nle-Lys-Arg-Arg-OH | CHE...)
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)=O
Show InChI InChI=1S/C31H53N11O6/c1-2-3-13-21(39-25(43)20-11-5-4-6-12-20)26(44)40-22(14-7-8-17-32)27(45)41-23(15-9-18-37-30(33)34)28(46)42-24(29(47)48)16-10-19-38-31(35)36/h4-6,11-12,21-24H,2-3,7-10,13-19,32H2,1H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)(H,47,48)(H4,33,34,37)(H4,35,36,38)/t21-,22-,23-,24-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Citation and Details
More data for this
Ligand-Target Pair