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PubMed code 26771861

Compile data set for download or QSAR
Found 22 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


(Dengue virus)		BDBM50470562
PNG
(CHEMBL1230055)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C21H25ClN6O5S/c22-12-3-1-2-11(6-12)7-24-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-34-5-4-13(23)21(31)32/h1-3,6,9-10,13-14,16-17,20,29-30H,4-5,7-8,23H2,(H,31,32)(H,24,25,26)/t13-,14+,16+,17+,20+/m0/s1
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 170n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged recombinant Dengue virus 3 2'-O methyltransferase expressed in Escherichia coli BL21 cells by scintillation count...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50179360
PNG
(CHEMBL3040216)
Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-
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 750n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Dengue virus 4 NS3 helicase

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50179360
PNG
(CHEMBL3040216)
Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-
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 750n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Dengue virus 3 NS3 helicase

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50030464
PNG
(CHEMBL3344310)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1
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 4.20E+3n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 1 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50030464
PNG
(CHEMBL3344310)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1
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 4.80E+3n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50026808
PNG
(CHEMBL2440341)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C(/C#N)C(=O)NC2CC2)cc1)C(N)=O |r|
Show InChI InChI=1S/C32H48N10O5/c1-2-3-7-24(27(35)43)40-30(46)25(8-4-5-16-33)42-31(47)26(9-6-17-38-32(36)37)41-28(44)21-12-10-20(11-13-21)18-22(19-34)29(45)39-23-14-15-23/h10-13,18,23-26H,2-9,14-17,33H2,1H3,(H2,35,43)(H,39,45)(H,40,46)(H,41,44)(H,42,47)(H4,36,37,38)/b22-18+/t24-,25-,26-/m0/s1
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 4.90E+3n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 NS2B-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by addition of...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50534351
PNG
(CHEMBL4531266)
Show SMILES Fc1ccc2CC(=O)[C@H](Cc2c1)C1=Cc2ccc(F)cc2CC1 |r,t:14|
Show InChI InChI=1S/C20H16F2O/c21-17-5-3-12-7-15(2-1-13(12)8-17)19-10-16-9-18(22)6-4-14(16)11-20(19)23/h3-9,19H,1-2,10-11H2/t19-/m1/s1
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 7.00E+3n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Mixed noncompetitive inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Boc-GRR-AMC as substrate assessed as enzy...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50030464
PNG
(CHEMBL3344310)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1
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 1.12E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 4 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50513887
PNG
(CHEMBL4458555)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C33H65N15O9/c1-18(50)25(48-29(55)21(43-19(2)51)12-8-16-42-33(39)40)31(57)47-24(17-49)30(56)46-23(10-4-6-14-35)28(54)45-22(9-3-5-13-34)27(53)44-20(26(36)52)11-7-15-41-32(37)38/h18,20-25,49-50H,3-17,34-35H2,1-2H3,(H2,36,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,47,57)(H,48,55)(H4,37,38,41)(H4,39,40,42)/t18-,20+,21+,22+,23+,24+,25+/m1/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dengue virus type 2 NS2B-NS3 protease expressed in Escherichia coli C41 cells using GRR-AMC as substrate after 15 mins by f...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50534351
PNG
(CHEMBL4531266)
Show SMILES Fc1ccc2CC(=O)[C@H](Cc2c1)C1=Cc2ccc(F)cc2CC1 |r,t:14|
Show InChI InChI=1S/C20H16F2O/c21-17-5-3-12-7-15(2-1-13(12)8-17)19-10-16-9-18(22)6-4-14(16)11-20(19)23/h3-9,19H,1-2,10-11H2/t19-/m1/s1
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 1.50E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Mixed noncompetitive inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Boc-GRR-AMC as substrate assessed as enzy...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50026784
PNG
(CHEMBL2440339)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C25H42N8O4/c1-2-3-12-18(21(27)34)31-23(36)19(13-7-8-15-26)33-24(37)20(14-9-16-30-25(28)29)32-22(35)17-10-5-4-6-11-17/h4-6,10-11,18-20H,2-3,7-9,12-16,26H2,1H3,(H2,27,34)(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t18-,19-,20-/m0/s1
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 1.56E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 NS2B-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by addition of...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50030464
PNG
(CHEMBL3344310)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1
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 2.44E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 3 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed ...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting an...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus)		BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting an...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Genome polyprotein


(Dengue virus 2)		BDBM50534349
PNG
(CHEMBL4447800)
Show SMILES N.Cc1ccc2nc(sc2c1S(O)(=O)=O)-c1ccc2nc(sc2c1)-c1ccc(NC(=O)c2ccc3nc(sc3c2)-c2ccc(N)cc2)cc1
Show InChI InChI=1S/C35H23N5O4S4/c1-18-2-13-27-30(31(18)48(42,43)44)47-35(40-27)22-8-15-26-29(17-22)46-34(39-26)20-5-11-24(12-6-20)37-32(41)21-7-14-25-28(16-21)45-33(38-25)19-3-9-23(36)10-4-19/h2-17H,36H2,1H3,(H,37,41)(H,42,43,44)
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n/an/a 500n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 NS3 helicase incubated for 2 mins followed by ATP addition

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50509461
PNG
(CHEMBL4440832)
Show SMILES Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1
Show InChI InChI=1S/C24H16N2O5S/c27-15-7-5-14-10-16(8-6-13(14)9-15)31-21-4-2-1-3-17(21)23(30)26-24-25-18-11-19(28)20(29)12-22(18)32-24/h1-12,27-29H,(H,25,26,30)
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n/an/a 990n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 3 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using PhAc-Lys-Arg-Arg-AMC as substrate after 10 mins by fluor...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50534349
PNG
(CHEMBL4447800)
Show SMILES N.Cc1ccc2nc(sc2c1S(O)(=O)=O)-c1ccc2nc(sc2c1)-c1ccc(NC(=O)c2ccc3nc(sc3c2)-c2ccc(N)cc2)cc1
Show InChI InChI=1S/C35H23N5O4S4/c1-18-2-13-27-30(31(18)48(42,43)44)47-35(40-27)22-8-15-26-29(17-22)46-34(39-26)20-5-11-24(12-6-20)37-32(41)21-7-14-25-28(16-21)45-33(38-25)19-3-9-23(36)10-4-19/h2-17H,36H2,1H3,(H,37,41)(H,42,43,44)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of RNA unwinding activity of thioredoxin/His6 tagged Dengue virus 2 TSV01 NS3 helicase (171 to 618 residues) expressed in Escherichia coli...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50534350
PNG
(CHEMBL4436496)
Show SMILES Nc1cc(N)c(cc1\N=N\c1ccc(cc1)S(=O)(=O)Nc1nccs1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+
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n/an/a 2.75E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3)-RIPL cells using Pyr-RTKR-AMC as substrate preincubated fo...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50509461
PNG
(CHEMBL4440832)
Show SMILES Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1
Show InChI InChI=1S/C24H16N2O5S/c27-15-7-5-14-10-16(8-6-13(14)9-15)31-21-4-2-1-3-17(21)23(30)26-24-25-18-11-19(28)20(29)12-22(18)32-24/h1-12,27-29H,(H,25,26,30)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 GFP/DsRed fused NS2B-NS3 protease co-transfected in HEK293T cells by Western blot analysis

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50509461
PNG
(CHEMBL4440832)
Show SMILES Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1
Show InChI InChI=1S/C24H16N2O5S/c27-15-7-5-14-10-16(8-6-13(14)9-15)31-21-4-2-1-3-17(21)23(30)26-24-25-18-11-19(28)20(29)12-22(18)32-24/h1-12,27-29H,(H,25,26,30)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as substrate af...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50525242
PNG
(CHEMBL4441561)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)c2nc3cc(Cl)ccc3[nH]2)s1
Show InChI InChI=1S/C21H12ClN3O2S/c22-15-5-7-17-18(10-15)25-20(24-17)14(11-23)9-16-6-8-19(28-16)12-1-3-13(4-2-12)21(26)27/h1-10H,(H,24,25)(H,26,27)/b14-9+
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n/an/a 5.95E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dengue virus 2 S-16803 NS2B-NS3 protease using Bz-nKRRAMC as substrate preincubated with enzyme followed by substrate addit...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus 2)		BDBM50525243
PNG
(CHEMBL4457482)
Show SMILES [Br-].CCCCCCCCCCCCCCCC[N+](CC)(CO)CO
Show InChI InChI=1S/C20H44NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2,19-22)20-23/h22-23H,3-20H2,1-2H3/q+1
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n/an/a 2.26E+4n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus 2 Taiwanese PL046 NS2B-NS3 protease using Ac-TTSTRR-pNA as substrate preincubated for 10 mins followed by addition of subs...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
BindingDB Entry DOI: 10.7270/Q2FX7F00
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%