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Compile Data Set for Download or QSAR

Found 45 hits of ic50 for UniProtKB: Q81258   
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


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103282
PNG
(US8546389, 4)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103256
PNG
(US8546389, 28)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Oc2ccccc2F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H27FN4O4S/c1-4-31(37(3,34)35)24-16-23-21(15-20(24)17-9-10-17)26(27(33)29-2)32(30-23)18-11-13-19(14-12-18)36-25-8-6-5-7-22(25)28/h5-8,11-17H,4,9-10H2,1-3H3,(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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103278
PNG
(US8546389, 216)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C30H36BrN5O6S/c1-32-29(38)27-24-16-23(18-8-9-18)26(17-25(24)34-36(27)20-12-10-19(31)11-13-20)35(43(3,40)41)15-5-14-33-28(37)21-6-4-7-22(21)30(39)42-2/h10-13,16-18,21-22H,4-9,14-15H2,1-3H3,(H,32,38)(H,33,37)/t21-,22-/m0/s1
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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
Genome polyprotein


(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)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103279
PNG
(US8546389, 234)
Show SMILES CNC(=O)c1n(nc2cc(N(C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrN4O3S/c1-22-20(26)19-16-10-15(12-4-5-12)18(24(2)29(3,27)28)11-17(16)23-25(19)14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3,(H,22,26)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103284
PNG
(US8546389, 54)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103276
PNG
(US8546389, 191)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cccnc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C28H29BrN6O4S/c1-30-28(37)26-23-15-22(18-6-7-18)25(16-24(23)33-35(26)21-10-8-20(29)9-11-21)34(40(2,38)39)14-4-13-32-27(36)19-5-3-12-31-17-19/h3,5,8-12,15-18H,4,6-7,13-14H2,1-2H3,(H,30,37)(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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103255
PNG
(US8546389, 22)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28FN5O3S/c1-4-32(37(3,35)36)25-16-24-23(15-22(25)17-5-6-17)26(27(34)29-2)33(31-24)21-13-11-20(12-14-21)30-19-9-7-18(28)8-10-19/h7-17,30H,4-6H2,1-3H3,(H,29,34)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103272
PNG
(US8546389, 179)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3nonc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H28BrN7O5S/c1-15-23(32-39-31-15)25(35)29-11-4-12-33(40(3,37)38)22-14-21-20(13-19(22)16-5-6-16)24(26(36)28-2)34(30-21)18-9-7-17(27)8-10-18/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,28,36)(H,29,35)
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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
Genome polyprotein


(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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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM32026
PNG
(6-quinolinamine | 6-quinolylamine | BDBM32208 | ML...)
Show SMILES Nc1ccc2ncccc2c1
Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2
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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
Genome polyprotein


(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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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103280
PNG
(US8546389, 235)
Show SMILES CNC(=O)c1n(nc2cc(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN4O5S/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)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103270
PNG
(US8546389, 175)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23ClN4O3S/c1-4-25(30(3,28)29)19-12-18-17(11-16(19)13-5-6-13)20(21(27)23-2)26(24-18)15-9-7-14(22)8-10-15/h7-13H,4-6H2,1-3H3,(H,23,27)
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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
Genome polyprotein


(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
Genome polyprotein


(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
Genome polyprotein


(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
Genome polyprotein


(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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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103277
PNG
(US8546389, 200)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H32BrN5O4S/c1-28-26(33)25-22-16-21(18-4-5-18)24(17-23(22)29-32(25)20-8-6-19(27)7-9-20)31(37(2,34)35)11-3-10-30-12-14-36-15-13-30/h6-9,16-18H,3-5,10-15H2,1-2H3,(H,28,33)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103258
PNG
(US8546389, 112)
Show SMILES CNC(=O)c1n(nc2cc(N(CCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C31H34FN5O5S/c1-33-31(38)30-27-19-26(21-3-4-21)29(36(43(2,39)40)14-13-35-15-17-41-18-16-35)20-28(27)34-37(30)23-7-11-25(12-8-23)42-24-9-5-22(32)6-10-24/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,33,38)
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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
Genome polyprotein


(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)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103275
PNG
(US8546389, 190)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cccnc3OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H31BrN6O5S/c1-31-28(38)26-23-16-22(18-7-8-18)25(17-24(23)34-36(26)20-11-9-19(30)10-12-20)35(42(3,39)40)15-5-14-32-27(37)21-6-4-13-33-29(21)41-2/h4,6,9-13,16-18H,5,7-8,14-15H2,1-3H3,(H,31,38)(H,32,37)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103254
PNG
(US8546389, 21)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-24-16-23(18-4-5-18)26(33(14-3-15-35)39(2,37)38)17-25(24)32-34(27)22-12-10-21(11-13-22)31-20-8-6-19(29)7-9-20/h6-13,16-18,31,35H,3-5,14-15H2,1-2H3,(H,30,36)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103283
PNG
(US8546389, 5)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccccc2F)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-22-16-21(18-8-9-18)26(33(14-5-15-35)39(2,37)38)17-25(22)32-34(27)20-12-10-19(11-13-20)31-24-7-4-3-6-23(24)29/h3-4,6-7,10-13,16-18,31,35H,5,8-9,14-15H2,1-2H3,(H,30,36)
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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
Genome polyprotein


(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
Genome polyprotein


(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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103286
PNG
(US8546389, 62)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN5O4S/c1-29-27(35)25-22-15-21(17-7-8-17)24(16-23(22)31-33(25)20-11-9-19(28)10-12-20)32(38(2,36)37)14-4-13-30-26(34)18-5-3-6-18/h9-12,15-18H,3-8,13-14H2,1-2H3,(H,29,35)(H,30,34)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103285
PNG
(US8546389, 59)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(C)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H28BrN5O4S/c1-15(31)27-11-4-12-29(35(3,33)34)22-14-21-20(13-19(22)16-5-6-16)23(24(32)26-2)30(28-21)18-9-7-17(25)8-10-18/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,26,32)(H,27,31)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103273
PNG
(US8546389, 180)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C28H32BrN7O4S/c1-17-23(16-32-34(17)3)27(37)31-12-5-13-35(41(4,39)40)25-15-24-22(14-21(25)18-6-7-18)26(28(38)30-2)36(33-24)20-10-8-19(29)9-11-20/h8-11,14-16,18H,5-7,12-13H2,1-4H3,(H,30,38)(H,31,37)
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103274
PNG
(US8546389, 189)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cccc(OC)c3F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C30H31BrFN5O5S/c1-33-30(39)28-23-16-22(18-8-9-18)25(17-24(23)35-37(28)20-12-10-19(31)11-13-20)36(43(3,40)41)15-5-14-34-29(38)21-6-4-7-26(42-2)27(21)32/h4,6-7,10-13,16-18H,5,8-9,14-15H2,1-3H3,(H,33,39)(H,34,38)
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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
Genome polyprotein


(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)
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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
Genome polyprotein


(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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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
Genome polyprotein


(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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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
Genome polyprotein


(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=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM32206
PNG
(US8546389, 66)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCC(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
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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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM50534629
PNG
(CHEMBL4444480)
Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34)
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n/an/a 119n/an/an/an/an/an/a



Idenix SARL, an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 26: 4536-4541 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM50534650
PNG
(CHEMBL4593826)
Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33)
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n/an/a 160n/an/an/an/an/an/a



Idenix SARL, an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 26: 4536-4541 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM50534628
PNG
(CHEMBL4441238)
Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)
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n/an/a 181n/an/an/an/an/an/a



Idenix SARL, an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 26: 4536-4541 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q
More data for this
Ligand-Target Pair
Genome polyprotein


(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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM50534630
PNG
(CHEMBL4545438)
Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35)
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n/an/a 335n/an/an/an/an/an/a



Idenix SARL, an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 26: 4536-4541 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103281
PNG
(US8546389, 131)
Show SMILES CNC(=O)c1n(nc2cc(N(CCC(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O5S/c1-25-23(30)22-18-12-17(14-4-5-14)20(27(34(3,31)32)11-10-21(29)33-2)13-19(18)26-28(22)16-8-6-15(24)7-9-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,25,30)
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n/an/a 470n/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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM35553
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 1)
Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C20H15BrN2O3/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 760n/an/an/an/an/an/a



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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103262
PNG
(US8546389, 136)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Oc2ccc(F)cc2)nc1)S(C)(=O)=O
Show InChI InChI=1S/C26H26FN5O4S/c1-4-31(37(3,34)35)23-14-22-21(13-20(23)16-5-6-16)25(26(33)28-2)32(30-22)18-9-12-24(29-15-18)36-19-10-7-17(27)8-11-19/h7-16H,4-6H2,1-3H3,(H,28,33)
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n/an/a 820n/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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM50534652
PNG
(CHEMBL4471005)
Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C26H25N6O4P/c1-16-5-10-23(17(2)13-16)37(35,36-4)30-25-21(26(33)34)15-32(29-25)20-8-6-19(7-9-20)22-14-24-27-18(3)11-12-31(24)28-22/h5-15H,1-4H3,(H,33,34)(H,29,30,35)
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n/an/a 3.09E+3n/an/an/an/an/an/a



Idenix SARL, an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 26: 4536-4541 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM50534651
PNG
(CHEMBL4548240)
Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2ncccn2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C25H23N6O4P/c1-16-5-10-22(17(2)13-16)36(34,35-3)29-24-20(25(32)33)15-31(28-24)19-8-6-18(7-9-19)21-14-23-26-11-4-12-30(23)27-21/h4-15H,1-3H3,(H,32,33)(H,28,29,34)
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n/an/a 5.72E+3n/an/an/an/an/an/a



Idenix SARL, an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 26: 4536-4541 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q
More data for this
Ligand-Target Pair