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Compile Data Set for Download or QSAR

Found 819 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein'   
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
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM92521
PNG
(TG-0205486)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1
Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1
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PubMed
400 -36.5n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM92520
PNG
(TG-0204998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O
Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1
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PubMed
800 -34.8n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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PubMed
1.50E+3 -33.2n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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PubMed
2.50E+3 -32.0n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...


J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM69688
PNG
(5,7-Dihydroxy-4-phenyl-chromen-2-one | 5,7-bis(oxi...)
Show SMILES Oc1cc(O)c2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H
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PubMed
n/an/a 2.70E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93223
PNG
(Neoflavonoid derivative, 8c)
Show SMILES Oc1c(CC=C)c(O)c2c(cc(=O)oc2c1CC=C)-c1ccccc1
Show InChI InChI=1S/C21H18O4/c1-3-8-14-19(23)15(9-4-2)21-18(20(14)24)16(12-17(22)25-21)13-10-6-5-7-11-13/h3-7,10-12,23-24H,1-2,8-9H2
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PubMed
n/an/a 4.58E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93218
PNG
(Coumarin derivative, 2b)
Show SMILES COc1cc(OC)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3
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PubMed
n/an/a 5.41E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM69317
PNG
(5,7-dimethoxy-4-phenyl-1-benzopyran-2-one | 5,7-di...)
Show SMILES COc1cc(OC)c2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-19-12-8-14(20-2)17-13(11-6-4-3-5-7-11)10-16(18)21-15(17)9-12/h3-10H,1-2H3
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n/an/a 6.30E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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PubMed
n/an/a 3.66E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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PubMed
n/an/a 3.38E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50104891
PNG
(7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phe...)
Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
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PubMed
n/an/a 4.16E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93219
PNG
(Neoflavonoid derivative, 6a)
Show SMILES C=CCOc1cc(OCC=C)c2ccc(=O)oc2c1
Show InChI InChI=1S/C15H14O4/c1-3-7-17-11-9-13(18-8-4-2)12-5-6-15(16)19-14(12)10-11/h3-6,9-10H,1-2,7-8H2
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n/an/a 2.62E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93220
PNG
(Neoflavonoid derivative, 6b)
Show SMILES Cc1cc(=O)oc2cc(OCC=C)cc(OCC=C)c12
Show InChI InChI=1S/C16H16O4/c1-4-6-18-12-9-13(19-7-5-2)16-11(3)8-15(17)20-14(16)10-12/h4-5,8-10H,1-2,6-7H2,3H3
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n/an/a 3.84E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93221
PNG
(Neoflavonoid derivative, 6c)
Show SMILES C=CCOc1cc(OCC=C)c2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C21H18O4/c1-3-10-23-16-12-18(24-11-4-2)21-17(15-8-6-5-7-9-15)14-20(22)25-19(21)13-16/h3-9,12-14H,1-2,10-11H2
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n/an/a 3.03E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93222
PNG
(Neoflavonoid derivative, 8a)
Show SMILES Oc1c(CC=C)c(O)c2ccc(=O)oc2c1CC=C
Show InChI InChI=1S/C15H14O4/c1-3-5-9-13(17)10(6-4-2)15-11(14(9)18)7-8-12(16)19-15/h3-4,7-8,17-18H,1-2,5-6H2
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n/an/a 1.79E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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n/an/a 4.72E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93216
PNG
(Coumarin derivative, 1a)
Show SMILES Oc1cc(O)c2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
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n/an/a 3.97E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93215
PNG
(LQB-34)
Show SMILES COc1cc2c3oc4cc(O)c(O)cc4c3c(=O)oc2cc1O
Show InChI InChI=1S/C16H10O7/c1-21-13-3-7-12(5-10(13)19)23-16(20)14-6-2-8(17)9(18)4-11(6)22-15(7)14/h2-5,17-19H,1H3
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n/an/a 1.80E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
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n/an/a 3.60E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93217
PNG
(Coumarin derivative, 2a)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1
Show InChI InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
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n/an/a 5.80E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35557
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 6)
Show SMILES Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C18H11BrN2O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,20H2
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PubMed
n/an/a 190n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35558
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 7)
Show SMILES CCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C20H15BrN2O2/c1-2-22-17-10-9-16-18-14(17)7-4-8-15(18)19(24)23(20(16)25)13-6-3-5-12(21)11-13/h3-11,22H,2H2,1H3
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PubMed
n/an/a 29n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35559
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 8)
Show SMILES CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C21H17BrN2O3/c1-23(10-11-25)18-9-8-17-19-15(18)6-3-7-16(19)20(26)24(21(17)27)14-5-2-4-13(22)12-14/h2-9,12,25H,10-11H2,1H3
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PubMed
n/an/a 500n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35560
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 9)
Show SMILES COCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C21H17BrN2O3/c1-27-11-10-23-18-9-8-17-19-15(18)6-3-7-16(19)20(25)24(21(17)26)14-5-2-4-13(22)12-14/h2-9,12,23H,10-11H2,1H3
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n/an/a 24n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35561
PNG
(benzo[de]isoquinolinone, 10)
Show SMILES OCCNc1ccc2C(=O)N(Cc3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C20H17BrN2O2/c21-14-4-2-5-15(11-14)23-12-13-3-1-6-16-18(22-9-10-24)8-7-17(19(13)16)20(23)25/h1-8,11,22,24H,9-10,12H2
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n/an/a 850n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35562
PNG
(benzo[de]isoquinoline, 11)
Show SMILES OCCNc1ccc2CN(Cc3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C20H19BrN2O/c21-16-4-2-5-17(11-16)23-12-14-3-1-6-18-19(22-9-10-24)8-7-15(13-23)20(14)18/h1-8,11,22,24H,9-10,12-13H2
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n/an/a>5.00E+4n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35563
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 12)
Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Cl)c1
Show InChI InChI=1S/C20H15ClN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
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n/an/a 19n/a 3.80E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35564
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 13)
Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(F)c1
Show InChI InChI=1S/C20H15FN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
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n/an/a 200n/a>5.00E+4n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35565
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 14)
Show SMILES NS(=O)(=O)c1cccc(c1)N1C(=O)c2cccc3c(NCCO)ccc(C1=O)c23
Show InChI InChI=1S/C20H17N3O5S/c21-29(27,28)13-4-1-3-12(11-13)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2,(H2,21,27,28)
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n/an/a 1.60E+3n/a>5.00E+4n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35566
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 15)
Show SMILES CC(C)CNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C22H19BrN2O2/c1-13(2)12-24-19-10-9-18-20-16(19)7-4-8-17(20)21(26)25(22(18)27)15-6-3-5-14(23)11-15/h3-11,13,24H,12H2,1-2H3
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PubMed
n/an/a 130n/a 1.10E+4n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35567
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 16)
Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCCCC4)ccc(C1=O)c23
Show InChI InChI=1S/C24H21BrN2O2/c25-15-6-4-9-17(14-15)27-23(28)19-11-5-10-18-21(26-16-7-2-1-3-8-16)13-12-20(22(18)19)24(27)29/h4-6,9-14,16,26H,1-3,7-8H2
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n/an/a 66n/a>5.00E+4n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35568
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 17)
Show SMILES CNCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C21H18BrN3O2/c1-23-10-11-24-18-9-8-17-19-15(18)6-3-7-16(19)20(26)25(21(17)27)14-5-2-4-13(22)12-14/h2-9,12,23-24H,10-11H2,1H3
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PubMed
n/an/a 130n/a 2.00E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35569
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 18)
Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCNCC4)ccc(C1=O)c23
Show InChI InChI=1S/C23H20BrN3O2/c24-14-3-1-4-16(13-14)27-22(28)18-6-2-5-17-20(26-15-9-11-25-12-10-15)8-7-19(21(17)18)23(27)29/h1-8,13,15,25-26H,9-12H2
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n/an/a 30n/a 1.90E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35570
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 19)
Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCN(Cc5ccccc5)CC4)ccc(C1=O)c23
Show InChI InChI=1S/C30H26BrN3O2/c31-21-8-4-9-23(18-21)34-29(35)25-11-5-10-24-27(13-12-26(28(24)25)30(34)36)32-22-14-16-33(17-15-22)19-20-6-2-1-3-7-20/h1-13,18,22,32H,14-17,19H2
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PubMed
n/an/a<14n/a 2.20E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35571
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 20 | cis-i...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C25H21BrN2O4/c26-15-3-1-4-17(13-15)28-23(29)19-6-2-5-18-21(12-11-20(22(18)19)24(28)30)27-16-9-7-14(8-10-16)25(31)32/h1-6,11-14,16,27H,7-10H2,(H,31,32)/t14-,16+
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n/an/a 42n/a 3.80E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


J Med Chem 52: 5217-27 (2009)


Article DOI: 10.1021/jm900517t
BindingDB Entry DOI: 10.7270/Q2X928P4
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30470
PNG
(1,1-dioxoisothiazole analog., 14)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C(C)C)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H24N2O5S/c1-4-30-17-12-8-11-16-19(24-31(28,29)22(16)17)18-21(26)20(14(2)3)25(23(18)27)13-15-9-6-5-7-10-15/h5-12,14,20,24H,4,13H2,1-3H3/t20-/m0/s1
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n/an/a 3.60E+3n/a 1.80E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30471
PNG
(1,1-dioxoisothiazole analog., 15)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2O
Show InChI InChI=1S/C21H20N2O5S/c1-12(2)18-19(25)16(21(26)23(18)11-13-7-4-3-5-8-13)17-14-9-6-10-15(24)20(14)29(27,28)22-17/h3-10,12,18,22,24H,11H2,1-2H3/t18-/m0/s1
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n/an/a 470n/a 4.70E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30472
PNG
(1,1-dioxoisothiazole analog., 16)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O
Show InChI InChI=1S/C23H23N3O6S/c1-13(2)20-21(28)18(23(29)26(20)11-14-7-4-3-5-8-14)19-15-9-6-10-16(32-12-17(24)27)22(15)33(30,31)25-19/h3-10,13,20,25H,11-12H2,1-2H3,(H2,24,27)/t20-/m0/s1
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n/an/a 520n/a 8.80E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30473
PNG
(1,1-dioxoisothiazole analog., 17)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCCC(N)=O
Show InChI InChI=1S/C24H25N3O6S/c1-14(2)21-22(29)19(24(30)27(21)13-15-7-4-3-5-8-15)20-16-9-6-10-17(33-12-11-18(25)28)23(16)34(31,32)26-20/h3-10,14,21,26H,11-13H2,1-2H3,(H2,25,28)/t21-/m0/s1
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n/an/a 1.20E+3n/a 1.00E+5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30474
PNG
(1,1-dioxoisothiazole analog., 18)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)C(C)(C)C
Show InChI InChI=1S/C27H30N2O6S/c1-16(2)23-24(31)21(26(32)29(23)14-17-10-7-6-8-11-17)22-18-12-9-13-19(25(18)36(33,34)28-22)35-15-20(30)27(3,4)5/h6-13,16,23,28H,14-15H2,1-5H3/t23-/m0/s1
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n/an/a 2.10E+4n/a>3.30E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30475
PNG
(1,1-dioxoisothiazole analog., 19)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N
Show InChI InChI=1S/C23H21N3O5S/c1-14(2)20-21(27)18(23(28)26(20)13-15-7-4-3-5-8-15)19-16-9-6-10-17(31-12-11-24)22(16)32(29,30)25-19/h3-10,14,20,25H,12-13H2,1-2H3/t20-/m0/s1
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n/an/a 1.60E+3n/a 1.20E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30476
PNG
(1,1-dioxoisothiazole analog., 20)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)N1CCOCC1
Show InChI InChI=1S/C27H29N3O7S/c1-17(2)24-25(32)22(27(33)30(24)15-18-7-4-3-5-8-18)23-19-9-6-10-20(26(19)38(34,35)28-23)37-16-21(31)29-11-13-36-14-12-29/h3-10,17,24,28H,11-16H2,1-2H3/t24-/m0/s1
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n/an/a 3.20E+3n/a>3.30E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30477
PNG
(1,1-dioxoisothiazole analog., 21)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1
Show InChI InChI=1S/C24H22N4O6S/c1-14(2)21-22(29)19(24(30)28(21)11-15-7-4-3-5-8-15)20-16-9-6-10-17(23(16)35(31,32)27-20)33-12-18-25-13-34-26-18/h3-10,13-14,21,27H,11-12H2,1-2H3/t21-/m0/s1
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n/an/a 350n/a 1.50E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30478
PNG
(1,1-dioxoisothiazole analog., 22)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C(C)C)N(CCC(C)(C)C)C1=O
Show InChI InChI=1S/C22H30N2O5S/c1-7-29-15-10-8-9-14-17(23-30(27,28)20(14)15)16-19(25)18(13(2)3)24(21(16)26)12-11-22(4,5)6/h8-10,13,18,23H,7,11-12H2,1-6H3/t18-/m0/s1
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n/an/a 9.00E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30479
PNG
(1,1-dioxoisothiazole analog., 23)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C
Show InChI InChI=1S/C23H32N2O5S/c1-8-30-15-11-9-10-14-17(24-31(28,29)19(14)15)16-18(26)20(23(5,6)7)25(21(16)27)13-12-22(2,3)4/h9-11,20,24H,8,12-13H2,1-7H3/t20-/m1/s1
PDB

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n/an/a 1.50E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30480
PNG
(1,1-dioxoisothiazole analog., 24)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](CC(C)C)N(CCC(C)(C)C)C1=O
Show InChI InChI=1S/C23H32N2O5S/c1-7-30-17-10-8-9-15-19(24-31(28,29)21(15)17)18-20(26)16(13-14(2)3)25(22(18)27)12-11-23(4,5)6/h8-10,14,16,24H,7,11-13H2,1-6H3/t16-/m0/s1
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n/an/a 5.10E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30481
PNG
(1,1-dioxoisothiazole analog., 25)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C2CCCCC2)N(CCC(C)(C)C)C1=O
Show InChI InChI=1S/C25H34N2O5S/c1-5-32-18-13-9-12-17-20(26-33(30,31)23(17)18)19-22(28)21(16-10-7-6-8-11-16)27(24(19)29)15-14-25(2,3)4/h9,12-13,16,21,26H,5-8,10-11,14-15H2,1-4H3/t21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30482
PNG
(1,1-dioxoisothiazole analog., 26)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)c1cccs1
Show InChI InChI=1S/C23H26N2O5S2/c1-5-30-15-9-6-8-14-18(24-32(28,29)21(14)15)17-20(26)19(16-10-7-13-31-16)25(22(17)27)12-11-23(2,3)4/h6-10,13,19,24H,5,11-12H2,1-4H3/t19-/m0/s1
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n/an/a 2.90E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30483
PNG
(1,1-dioxoisothiazole analog., 27)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2cccc(Cl)c2)C1=O)C(C)(C)C
Show InChI InChI=1S/C24H25ClN2O5S/c1-5-32-17-11-7-10-16-19(26-33(30,31)21(16)17)18-20(28)22(24(2,3)4)27(23(18)29)13-14-8-6-9-15(25)12-14/h6-12,22,26H,5,13H2,1-4H3/t22-/m1/s1
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n/an/a 1.60E+3n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30484
PNG
(1,1-dioxoisothiazole analog., 28)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C
Show InChI InChI=1S/C24H24ClFN2O5S/c1-5-33-17-8-6-7-14-19(27-34(31,32)21(14)17)18-20(29)22(24(2,3)4)28(23(18)30)12-13-9-10-16(26)15(25)11-13/h6-11,22,27H,5,12H2,1-4H3/t22-/m1/s1
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PubMed
n/an/a 760n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
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