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27 similar compounds to monomer 103286

Compile data set for download or QSAR
Wt: 648.7
BDBM32222
Wt: 605.5
BDBM103287
Wt: 551.5
BDBM103288
Wt: 619.7
BDBM103257
Wt: 483.6
BDBM103259
Wt: 592.6
BDBM103260
Wt: 598.5
BDBM103261
Wt: 590.5
BDBM103263
Wt: 614.5
BDBM103264
Wt: 648.5
BDBM103265
Wt: 624.5
BDBM103266
Wt: 590.5
BDBM103267
Wt: 616.4
BDBM103268
Wt: 629.5
BDBM103269
Wt: 655.5
BDBM103271
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 32222,103287,103288,103257,103259,103260,103261,103263,103264,103265,103266,103267,103268,103269,103271   
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM32222
PNG
(US8546389, 120)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C3CCOC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1/C33H37FN6O5S/c1-35-33(42)31-28-18-27(21-4-5-21)30(39(46(2,43)44)16-3-15-36-32(41)22-14-17-45-20-22)19-29(28)38-40(31)26-12-10-25(11-13-26)37-24-8-6-23(34)7-9-24/h6-13,18-19,21-22,37H,3-5,14-17,20H2,1-2H3,(H,35,42)(H,36,41)
PDB

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UniChem

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US Patent
n/an/a 110n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103271
PNG
(US8546389, 177)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccnc(OC)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H31BrN6O5S/c1-31-29(38)27-23-16-22(18-5-6-18)25(17-24(23)34-36(27)21-9-7-20(30)8-10-21)35(42(3,39)40)14-4-12-33-28(37)19-11-13-32-26(15-19)41-2/h7-11,13,15-18H,4-6,12,14H2,1-3H3,(H,31,38)(H,33,37)
PDB

KEGG

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PC sid
UniChem

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US Patent
n/an/a 60n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103287
PNG
(US8546389, 95)
Show SMILES CNC(=O)c1n(nc2cc(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrN4O5S/c1-27(2)36-15-17(16-37-27)11-12-31(38(4,34)35)24-14-23-22(13-21(24)18-5-6-18)25(26(33)29-3)32(30-23)20-9-7-19(28)8-10-20/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,29,33)
PDB

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US Patent
n/an/a 70n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103288
PNG
(US8546389, 99)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCSC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H27BrN4O3S2/c1-25-23(29)22-19-13-18(15-5-6-15)21(27(33(3,30)31)11-4-12-32-2)14-20(19)26-28(22)17-9-7-16(24)8-10-17/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,29)
PDB

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US Patent
n/an/a 90n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103257
PNG
(US8546389, 111)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCN3CCCCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H38FN5O4S/c1-35-33(40)32-29-21-28(23-7-8-23)31(38(44(2,41)42)20-6-19-37-17-4-3-5-18-37)22-30(29)36-39(32)25-11-15-27(16-12-25)43-26-13-9-24(34)10-14-26/h9-16,21-23H,3-8,17-20H2,1-2H3,(H,35,40)
PDB

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US Patent
n/an/a 1.17E+3n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103259
PNG
(US8546389, 117)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(NCC(C)C)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H33N5O3S/c1-6-29(34(5,32)33)23-14-22-21(13-20(23)17-7-8-17)24(25(31)26-4)30(28-22)19-11-9-18(10-12-19)27-15-16(2)3/h9-14,16-17,27H,6-8,15H2,1-5H3,(H,26,31)
PDB

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US Patent
n/an/a 430n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103260
PNG
(US8546389, 119)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(C)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H33FN6O4S/c1-19(38)33-15-4-16-36(42(3,40)41)28-18-27-26(17-25(28)20-5-6-20)29(30(39)32-2)37(35-27)24-13-11-23(12-14-24)34-22-9-7-21(31)8-10-22/h7-14,17-18,20,34H,4-6,15-16H2,1-3H3,(H,32,39)(H,33,38)
PDB

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UniChem

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US Patent
n/an/a 130n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103261
PNG
(US8546389, 134)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNS(C)(=O)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)
PDB

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UniChem

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US Patent
n/an/a 90n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103263
PNG
(US8546389, 156)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(C)C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H32BrN5O4S/c1-16(2)25(33)29-12-5-13-31(37(4,35)36)23-15-22-21(14-20(23)17-6-7-17)24(26(34)28-3)32(30-22)19-10-8-18(27)9-11-19/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,28,34)(H,29,33)
PDB

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UniChem

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US Patent
n/an/a 250n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103264
PNG
(US8546389, 160)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccoc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H28BrN5O5S/c1-29-27(35)25-22-14-21(17-4-5-17)24(15-23(22)31-33(25)20-8-6-19(28)7-9-20)32(39(2,36)37)12-3-11-30-26(34)18-10-13-38-16-18/h6-10,13-17H,3-5,11-12H2,1-2H3,(H,29,35)(H,30,34)
PDB

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UniChem

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US Patent
n/an/a 70n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103265
PNG
(US8546389, 164)
Show SMILES CCOC(=O)CCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H34BrN5O6S/c1-4-40-26(36)13-12-25(35)31-14-5-15-33(41(3,38)39)24-17-23-22(16-21(24)18-6-7-18)27(28(37)30-2)34(32-23)20-10-8-19(29)9-11-20/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,30,37)(H,31,35)
PDB

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UniChem

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US Patent
n/an/a 520n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103266
PNG
(US8546389, 166)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccccc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H30BrN5O4S/c1-31-29(37)27-24-17-23(19-9-10-19)26(18-25(24)33-35(27)22-13-11-21(30)12-14-22)34(40(2,38)39)16-6-15-32-28(36)20-7-4-3-5-8-20/h3-5,7-8,11-14,17-19H,6,9-10,15-16H2,1-2H3,(H,31,37)(H,32,36)
PDB

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UniChem

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US Patent
n/an/a 160n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103267
PNG
(US8546389, 171)
Show SMILES CCCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H32BrN5O4S/c1-4-6-24(33)29-13-5-14-31(37(3,35)36)23-16-22-21(15-20(23)17-7-8-17)25(26(34)28-2)32(30-22)19-11-9-18(27)10-12-19/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,28,34)(H,29,33)
PDB

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UniChem

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US Patent
n/an/a 310n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103268
PNG
(US8546389, 172)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrF3N5O4S/c1-29-22(34)21-18-12-17(14-4-5-14)20(13-19(18)31-33(21)16-8-6-15(25)7-9-16)32(38(2,36)37)11-3-10-30-23(35)24(26,27)28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,34)(H,30,35)
PDB

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UniChem

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US Patent
n/an/a 110n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103269
PNG
(US8546389, 174)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ncoc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrN6O5S/c1-16-24(31-15-39-16)26(35)30-11-4-12-33(40(3,37)38)23-14-22-21(13-20(23)17-5-6-17)25(27(36)29-2)34(32-22)19-9-7-18(28)8-10-19/h7-10,13-15,17H,4-6,11-12H2,1-3H3,(H,29,36)(H,30,35)
PDB

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US Patent
n/an/a 130n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103271
PNG
(US8546389, 177)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccnc(OC)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H31BrN6O5S/c1-31-29(38)27-23-16-22(18-5-6-18)25(17-24(23)34-36(27)21-9-7-20(30)8-10-21)35(42(3,39)40)14-4-12-33-28(37)19-11-13-32-26(15-19)41-2/h7-11,13,15-18H,4-6,12,14H2,1-3H3,(H,31,38)(H,33,37)
PDB

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UniChem

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US Patent
n/an/a 280n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103287
PNG
(US8546389, 95)
Show SMILES CNC(=O)c1n(nc2cc(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrN4O5S/c1-27(2)36-15-17(16-37-27)11-12-31(38(4,34)35)24-14-23-22(13-21(24)18-5-6-18)25(26(33)29-3)32(30-23)20-9-7-19(28)8-10-20/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,29,33)
PDB

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UniChem

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US Patent
n/an/a 40n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103288
PNG
(US8546389, 99)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCSC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H27BrN4O3S2/c1-25-23(29)22-19-13-18(15-5-6-15)21(27(33(3,30)31)11-4-12-32-2)14-20(19)26-28(22)17-9-7-16(24)8-10-17/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,29)
PDB

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UniProtKB/SwissProt

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n/an/a 20n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103257
PNG
(US8546389, 111)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCN3CCCCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H38FN5O4S/c1-35-33(40)32-29-21-28(23-7-8-23)31(38(44(2,41)42)20-6-19-37-17-4-3-5-18-37)22-30(29)36-39(32)25-11-15-27(16-12-25)43-26-13-9-24(34)10-14-26/h9-16,21-23H,3-8,17-20H2,1-2H3,(H,35,40)
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n/an/a 260n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103259
PNG
(US8546389, 117)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(NCC(C)C)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H33N5O3S/c1-6-29(34(5,32)33)23-14-22-21(13-20(23)17-7-8-17)24(25(31)26-4)30(28-22)19-11-9-18(10-12-19)27-15-16(2)3/h9-14,16-17,27H,6-8,15H2,1-5H3,(H,26,31)
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n/an/a 70n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103260
PNG
(US8546389, 119)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(C)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H33FN6O4S/c1-19(38)33-15-4-16-36(42(3,40)41)28-18-27-26(17-25(28)20-5-6-20)29(30(39)32-2)37(35-27)24-13-11-23(12-14-24)34-22-9-7-21(31)8-10-22/h7-14,17-18,20,34H,4-6,15-16H2,1-3H3,(H,32,39)(H,33,38)
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n/an/a 30n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103261
PNG
(US8546389, 134)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNS(C)(=O)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)
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n/an/a 30n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103263
PNG
(US8546389, 156)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(C)C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H32BrN5O4S/c1-16(2)25(33)29-12-5-13-31(37(4,35)36)23-15-22-21(14-20(23)17-6-7-17)24(26(34)28-3)32(30-22)19-10-8-18(27)9-11-19/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,28,34)(H,29,33)
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n/an/a 70n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103264
PNG
(US8546389, 160)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccoc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H28BrN5O5S/c1-29-27(35)25-22-14-21(17-4-5-17)24(15-23(22)31-33(25)20-8-6-19(28)7-9-20)32(39(2,36)37)12-3-11-30-26(34)18-10-13-38-16-18/h6-10,13-17H,3-5,11-12H2,1-2H3,(H,29,35)(H,30,34)
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n/an/a 40n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103265
PNG
(US8546389, 164)
Show SMILES CCOC(=O)CCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H34BrN5O6S/c1-4-40-26(36)13-12-25(35)31-14-5-15-33(41(3,38)39)24-17-23-22(16-21(24)18-6-7-18)27(28(37)30-2)34(32-23)20-10-8-19(29)9-11-20/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,30,37)(H,31,35)
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Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103266
PNG
(US8546389, 166)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccccc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H30BrN5O4S/c1-31-29(37)27-24-17-23(19-9-10-19)26(18-25(24)33-35(27)22-13-11-21(30)12-14-22)34(40(2,38)39)16-6-15-32-28(36)20-7-4-3-5-8-20/h3-5,7-8,11-14,17-19H,6,9-10,15-16H2,1-2H3,(H,31,37)(H,32,36)
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Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103267
PNG
(US8546389, 171)
Show SMILES CCCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H32BrN5O4S/c1-4-6-24(33)29-13-5-14-31(37(3,35)36)23-16-22-21(15-20(23)17-7-8-17)25(26(34)28-2)32(30-22)19-11-9-18(27)10-12-19/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,28,34)(H,29,33)
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Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103268
PNG
(US8546389, 172)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrF3N5O4S/c1-29-22(34)21-18-12-17(14-4-5-14)20(13-19(18)31-33(21)16-8-6-15(25)7-9-16)32(38(2,36)37)11-3-10-30-23(35)24(26,27)28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,34)(H,30,35)
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Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103269
PNG
(US8546389, 174)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ncoc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrN6O5S/c1-16-24(31-15-39-16)26(35)30-11-4-12-33(40(3,37)38)23-14-22-21(13-20(23)17-5-6-17)25(27(36)29-2)34(32-22)19-9-7-18(28)8-10-19/h7-10,13-15,17H,4-6,11-12H2,1-3H3,(H,29,36)(H,30,35)
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Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM32222
PNG
(US8546389, 120)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C3CCOC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1/C33H37FN6O5S/c1-35-33(42)31-28-18-27(21-4-5-21)30(39(46(2,43)44)16-3-15-36-32(41)22-14-17-45-20-22)19-29(28)38-40(31)26-12-10-25(11-13-26)37-24-8-6-23(34)7-9-24/h6-13,18-19,21-22,37H,3-5,14-17,20H2,1-2H3,(H,35,42)(H,36,41)
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n/an/a 80n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair