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Compile Data Set for Download or QSAR

Found 78 hits of ic50 for UniProtKB: P12823   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Dengue virus type 2)
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481420
PNG
(CHEMBL599616 | ZINC 02750651)
Show SMILES OC(=O)COc1ccc(Br)cc1\C=C1/CC\C(=C/c2cc(Br)ccc2OCC(O)=O)C1=O
Show InChI InChI=1S/C23H18Br2O7/c24-17-3-5-19(31-11-21(26)27)15(9-17)7-13-1-2-14(23(13)30)8-16-10-18(25)4-6-20(16)32-12-22(28)29/h3-10H,1-2,11-12H2,(H,26,27)(H,28,29)/b13-7+,14-8+
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n/an/a 2.81E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481406
PNG
(CHEMBL606173 | ZINC 02826899)
Show SMILES COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2)C(=O)c2ccoc2)cc1 |r|
Show InChI InChI=1S/C26H25NO4/c1-29-23-11-9-20(10-12-23)18-27(26(28)22-14-17-30-19-22)15-13-24(25-8-5-16-31-25)21-6-3-2-4-7-21/h2-12,14,16-17,19,24H,13,15,18H2,1H3/t24-/m0/s1
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n/an/a 2.91E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 8 nM enzyme concentration


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481407
PNG
(CHEMBL597154 | ZINC 01878835)
Show SMILES Oc1ccc(\C=N\NC(=O)CCCCC(=O)N\N=C\c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C20H22N4O6/c25-15-7-5-13(17(27)9-15)11-21-23-19(29)3-1-2-4-20(30)24-22-12-14-6-8-16(26)10-18(14)28/h5-12,25-28H,1-4H2,(H,23,29)(H,24,30)/b21-11+,22-12+
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n/an/a 4.29E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM89191
PNG
(2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono...)
Show SMILES OC(=O)c1ccccc1\C=N\NC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+
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n/an/a 4.34E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assay


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481422
PNG
(CHEMBL597776 | ZINC 01832826)
Show SMILES OC(=O)CCC(=O)N1NC(=C[C@@H]1c1ccc(Br)cc1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 |r,c:9|
Show InChI InChI=1S/C28H21BrClN3O4/c29-18-8-6-16(7-9-18)23-15-22(32-33(23)24(34)12-13-25(35)36)27-26(17-4-2-1-3-5-17)20-14-19(30)10-11-21(20)31-28(27)37/h1-11,14-15,23,32H,12-13H2,(H,31,37)(H,35,36)/t23-/m1/s1
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n/an/a 4.42E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481400
PNG
(CHEMBL597978 | NSC-140047)
Show SMILES COc1ccc(\C=C2\CN(CCCC(O)=O)C(=O)C2=O)cc1
Show InChI InChI=1S/C16H17NO5/c1-22-13-6-4-11(5-7-13)9-12-10-17(16(21)15(12)20)8-2-3-14(18)19/h4-7,9H,2-3,8,10H2,1H3,(H,18,19)/b12-9-
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n/an/a 4.47E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM89191
PNG
(2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono...)
Show SMILES OC(=O)c1ccccc1\C=N\NC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM89191
PNG
(2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono...)
Show SMILES OC(=O)c1ccccc1\C=N\NC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+
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n/an/a 4.91E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 6.22E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assay


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481411
PNG
(CHEMBL606180 | ZINC 01174529)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)\C=C\c3cccc4ccccc34)cc2)nc(OC)n1
Show InChI InChI=1S/C25H22N4O5S/c1-33-24-16-22(27-25(28-24)34-2)29-35(31,32)20-13-11-19(12-14-20)26-23(30)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h3-16H,1-2H3,(H,26,30)(H,27,28,29)/b15-10+
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n/an/a 6.83E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481423
PNG
(CHEMBL599597 | ZINC 03461039)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2ccc3ccccc3c2)ccc1OCCC(O)=O |c:9|
Show InChI InChI=1S/C26H24N2O5/c1-3-32-24-15-18(8-11-23(24)33-13-12-25(29)30)14-22-17(2)27-28(26(22)31)21-10-9-19-6-4-5-7-20(19)16-21/h4-11,14-16H,3,12-13H2,1-2H3,(H,29,30)/b22-14-
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n/an/a 7.11E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481410
PNG
(CHEMBL597979 | ZINC 02911543)
Show SMILES OS(=O)(=O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
Show InChI InChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
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n/an/a 7.14E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 7.14E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 80 nM enzyme concentration


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481410
PNG
(CHEMBL597979 | ZINC 02911543)
Show SMILES OS(=O)(=O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
Show InChI InChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
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n/an/a 7.56E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481410
PNG
(CHEMBL597979 | ZINC 02911543)
Show SMILES OS(=O)(=O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
Show InChI InChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
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n/an/a 7.62E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 8 nM enzyme concentration


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481417
PNG
(CHEMBL597975 | ZINC 01196449)
Show SMILES OC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(Br)cc3)cc2)c1
Show InChI InChI=1S/C21H16BrNO3S/c22-17-8-10-19(11-9-17)27-13-14-4-6-15(7-5-14)20(24)23-18-3-1-2-16(12-18)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
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n/an/a 7.99E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481400
PNG
(CHEMBL597978 | NSC-140047)
Show SMILES COc1ccc(\C=C2\CN(CCCC(O)=O)C(=O)C2=O)cc1
Show InChI InChI=1S/C16H17NO5/c1-22-13-6-4-11(5-7-13)9-12-10-17(16(21)15(12)20)8-2-3-14(18)19/h4-7,9H,2-3,8,10H2,1H3,(H,18,19)/b12-9-
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n/an/a 8.78E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481412
PNG
(CHEMBL599598 | ZINC 03287966)
Show SMILES OC(=O)c1ccccc1\C=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C26H20N2O4/c29-25(28-27-16-22-7-3-4-8-24(22)26(30)31)20-11-9-18(10-12-20)17-32-23-14-13-19-5-1-2-6-21(19)15-23/h1-16H,17H2,(H,28,29)(H,30,31)/b27-16-
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n/an/a 8.81E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481424
PNG
(CHEMBL605779 | ZINC 01078518)
Show SMILES Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H19ClN2O4S2/c1-16-6-8-19(24)15-23(16)26-31(27,28)21-12-9-20(10-13-21)25-32(29,30)22-11-7-17-4-2-3-5-18(17)14-22/h2-15,25-26H,1H3
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n/an/a 9.28E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM11979
PNG
(5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
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n/an/a 9.46E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481401
PNG
(CHEMBL597358 | ZINC 01758620)
Show SMILES Cc1ccccc1COc1ccc(cc1)C(=O)[C@H]1[C@@H](N(Cc2ccncc2)C(=O)C1=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C31H26N2O5/c1-20-5-2-3-6-24(20)19-38-26-11-9-22(10-12-26)29(35)27-28(23-7-4-8-25(34)17-23)33(31(37)30(27)36)18-21-13-15-32-16-14-21/h2-17,27-28,34H,18-19H2,1H3/t27-,28+/m1/s1
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n/an/a 9.62E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481403
PNG
(CHEMBL606193)
Show SMILES Cc1ccc(C)c(c1)C(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 |r,c:11|
Show InChI InChI=1S/C27H25NO4/c1-17-8-9-18(2)22(16-17)25(30)23-24(20-10-12-21(29)13-11-20)28(27(32)26(23)31)15-14-19-6-4-3-5-7-19/h3-13,16,24,29,31H,14-15H2,1-2H3/t24-/m1/s1
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n/an/a 9.84E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481410
PNG
(CHEMBL597979 | ZINC 02911543)
Show SMILES OS(=O)(=O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
Show InChI InChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 80 nM enzyme concentration


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481400
PNG
(CHEMBL597978 | NSC-140047)
Show SMILES COc1ccc(\C=C2\CN(CCCC(O)=O)C(=O)C2=O)cc1
Show InChI InChI=1S/C16H17NO5/c1-22-13-6-4-11(5-7-13)9-12-10-17(16(21)15(12)20)8-2-3-14(18)19/h4-7,9H,2-3,8,10H2,1H3,(H,18,19)/b12-9-
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assay


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481410
PNG
(CHEMBL597979 | ZINC 02911543)
Show SMILES OS(=O)(=O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
Show InChI InChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assay


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481413
PNG
(CHEMBL598786 | ZINC 01138375)
Show SMILES COc1cc(\C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C21H18Cl2N2O6/c1-11(20(27)28)31-17-6-3-12(8-18(17)30-2)7-16-19(26)25(21(29)24-16)10-13-4-5-14(22)9-15(13)23/h3-9,11H,10H2,1-2H3,(H,24,29)(H,27,28)/b16-7+/t11-/m1/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481414
PNG
(CHEMBL598785 | ZINC 02129857)
Show SMILES Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(O)=O)c(=O)oc2cc3occ(c3cc12)C(C)(C)C |r|
Show InChI InChI=1S/C29H28N2O7/c1-14-17-9-20-21(29(2,3)4)13-37-24(20)11-25(17)38-28(36)18(14)10-26(33)31-23(27(34)35)7-15-12-30-22-6-5-16(32)8-19(15)22/h5-6,8-9,11-13,23,30,32H,7,10H2,1-4H3,(H,31,33)(H,34,35)/t23-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481425
PNG
(CHEMBL597777 | ZINC 01078734)
Show SMILES OC(=O)COc1ccccc1\C=N/NC(=O)Cc1csc(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C21H17F3N4O4S/c22-21(23,24)14-5-3-6-15(8-14)26-20-27-16(12-33-20)9-18(29)28-25-10-13-4-1-2-7-17(13)32-11-19(30)31/h1-8,10,12H,9,11H2,(H,26,27)(H,28,29)(H,30,31)/b25-10-
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n/an/a 1.24E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481402
PNG
(CHEMBL604091 | ZINC 00633950)
Show SMILES O\C(=C1\[C@H](N(Cc2cccnc2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1)c1ccco1 |r|
Show InChI InChI=1S/C27H20N2O5/c30-25(22-12-6-14-33-22)23-24(29(27(32)26(23)31)17-18-7-5-13-28-16-18)19-8-4-11-21(15-19)34-20-9-2-1-3-10-20/h1-16,24,30H,17H2/b25-23-/t24-/m1/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481418
PNG
(CHEMBL607576 | ZINC 01112283)
Show SMILES COc1cc(CNc2ccc(cc2)C(O)=O)ccc1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20ClNO4/c1-27-21-12-15(13-24-18-9-7-16(8-10-18)22(25)26)6-11-20(21)28-14-17-4-2-3-5-19(17)23/h2-12,24H,13-14H2,1H3,(H,25,26)
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481416
PNG
(CHEMBL599409)
Show SMILES CCN(CC)c1ccc(\C=N/Nc2ccc(Cl)c(c2)C(O)=O)c(O)c1
Show InChI InChI=1S/C18H20ClN3O3/c1-3-22(4-2)14-7-5-12(17(23)10-14)11-20-21-13-6-8-16(19)15(9-13)18(24)25/h5-11,21,23H,3-4H2,1-2H3,(H,24,25)/b20-11-
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM83183
PNG
(4-keto-8-nitro-1H-quinoline-3-carboxylic acid | 8-...)
Show SMILES OC(=O)c1cnc2c(cccc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
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n/an/a 1.43E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481421
PNG
(CHEMBL599830 | ZINC 02379945)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1nc(cs1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H14N2O3S/c24-19(16-7-3-4-8-17(16)20(25)26)23-21-22-18(12-27-21)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,25,26)(H,22,23,24)
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481408
PNG
(CHEMBL596747 | ZINC 02642996)
Show SMILES Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N4O4S/c1-11-5-14(15(25)9-29-20-22-18(21)7-19(26)23-20)12(2)24(11)8-13-3-4-16-17(6-13)28-10-27-16/h3-7H,8-10H2,1-2H3,(H3,21,22,23,26)
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50424
PNG
(4-[[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen...)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc2sc3CCCCc3c2C#N)cc1
Show InChI InChI=1S/C23H19N3O5S2/c24-13-19-18-6-1-2-7-20(18)32-22(19)25-21(27)15-4-3-5-17(12-15)33(30,31)26-16-10-8-14(9-11-16)23(28)29/h3-5,8-12,26H,1-2,6-7H2,(H,25,27)(H,28,29)
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n/an/a 1.76E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481420
PNG
(CHEMBL599616 | ZINC 02750651)
Show SMILES OC(=O)COc1ccc(Br)cc1\C=C1/CC\C(=C/c2cc(Br)ccc2OCC(O)=O)C1=O
Show InChI InChI=1S/C23H18Br2O7/c24-17-3-5-19(31-11-21(26)27)15(9-17)7-13-1-2-14(23(13)30)8-16-10-18(25)4-6-20(16)32-12-22(28)29/h3-10H,1-2,11-12H2,(H,26,27)(H,28,29)/b13-7+,14-8+
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n/an/a 1.95E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481415
PNG
(CHEMBL597964 | ZINC 00632055)
Show SMILES Cc1cc(\C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H20N4O5/c1-13-8-17(12-23-25-22(31)24-18-6-4-3-5-7-18)14(2)26(13)19-10-15(20(27)28)9-16(11-19)21(29)30/h3-12H,1-2H3,(H,27,28)(H,29,30)(H2,24,25,31)/b23-12-
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n/an/a 2.03E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481409
PNG
(CHEMBL599410 | ZINC 01226983)
Show SMILES Oc1ccc2cc(cc(c2c1)S(=O)(=O)Nc1ccccc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N2O5S2/c25-19-12-11-16-13-20(30(26,27)23-17-7-3-1-4-8-17)15-22(21(16)14-19)31(28,29)24-18-9-5-2-6-10-18/h1-15,23-25H
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n/an/a 2.11E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481406
PNG
(CHEMBL606173 | ZINC 02826899)
Show SMILES COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2)C(=O)c2ccoc2)cc1 |r|
Show InChI InChI=1S/C26H25NO4/c1-29-23-11-9-20(10-12-23)18-27(26(28)22-14-17-30-19-22)15-13-24(25-8-5-16-31-25)21-6-3-2-4-7-21/h2-12,14,16-17,19,24H,13,15,18H2,1H3/t24-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481407
PNG
(CHEMBL597154 | ZINC 01878835)
Show SMILES Oc1ccc(\C=N\NC(=O)CCCCC(=O)N\N=C\c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C20H22N4O6/c25-15-7-5-13(17(27)9-15)11-21-23-19(29)3-1-2-4-20(30)24-22-12-14-6-8-16(26)10-18(14)28/h5-12,25-28H,1-4H2,(H,23,29)(H,24,30)/b21-11+,22-12+
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481404
PNG
(CHEMBL25718 | NSC-26899)
Show SMILES NC(=O)C1=CN(Cc2ccccc2)C=CC1 |c:14,t:3|
Show InChI InChI=1S/C13H14N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H2,14,16)
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n/an/a 2.53E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481398
PNG
(CHEMBL607863 | NSC-54771)
Show SMILES COc1ccc2N(Cc3ccccc3)CC(CC(O)=O)c2c1
Show InChI InChI=1S/C18H19NO3/c1-22-15-7-8-17-16(10-15)14(9-18(20)21)12-19(17)11-13-5-3-2-4-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,20,21)
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n/an/a 2.75E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481397
PNG
(CHEMBL598807 | NSC-49419)
Show SMILES Oc1ccc(\C=C2\NC(=O)NC2=O)cc1
Show InChI InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15)/b8-5+
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n/an/a 2.76E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481405
PNG
(CHEMBL597781 | NSC-91788)
Show SMILES Oc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C12H10N4O6/c17-9-2-1-7(5-8(9)16(21)22)13-11(19)6-15-4-3-10(18)14-12(15)20/h1-5,17H,6H2,(H,13,19)(H,14,18,20)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50293597
PNG
(4,4'-sulfonyldibenzoic acid | 4-[(4-carboxybenzene...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H10O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
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n/an/a 2.99E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481399
PNG
(CHEMBL603880 | NSC-84407)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)c1no[n+]([O-])c1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H8N4O8/c21-15(9-3-1-5-11(7-9)18(23)24)13-14(20(27)28-17-13)16(22)10-4-2-6-12(8-10)19(25)26/h1-8H
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n/an/a 3.14E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Dengue virus type 2)
BDBM50481419
PNG
(CHEMBL597965 | ZINC 01467812)
Show SMILES Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)Nc1cccc(c1)C(O)=O)C2 |TLB:28:7:14:10.11.12,10:11:15:14.9.8,THB:28:11:14:7.15.8,10:9:15:11.12.28|
Show InChI InChI=1S/C25H27NO3/c1-16-5-7-20(8-6-16)24-11-17-9-18(12-24)14-25(13-17,15-24)23(29)26-21-4-2-3-19(10-21)22(27)28/h2-8,10,17-18H,9,11-15H2,1H3,(H,26,29)(H,27,28)
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n/an/a 3.75E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site


J Med Chem 53: 1483-95 (2010)


Article DOI: 10.1021/jm900776m
BindingDB Entry DOI: 10.7270/Q2ST7SNQ
More data for this
Ligand-Target Pair
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