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PubMed code 32061500

Compile Data Set for Download or QSAR

Found 200 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235867
PNG
(US9364482, 42)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn(Cc3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN5O5S/c1-34-31(39)29-25-16-23(21-11-14-26-24(15-21)32(40)38(36-35-26)18-19-7-5-4-6-8-19)27(37(2)44(3,41)42)17-28(25)43-30(29)20-9-12-22(33)13-10-20/h4-17H,18H2,1-3H3,(H,34,39)
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n/an/an/an/a 2.30n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235892
PNG
(US9364482, 73)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1Cl)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24ClF2N5O5S/c1-36-31(41)29-24-13-22(27(39(2)46(3,43)44)15-28(24)45-30(29)18-6-10-20(35)11-7-18)21-12-23-26(14-25(21)33)37-38-40(32(23)42)16-17-4-8-19(34)9-5-17/h4-15H,16H2,1-3H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545007
PNG
(CHEMBL4639325)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn(C(CO)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(42)30-25-15-23(27(39(2)47(3,44)45)16-29(25)46-31(30)19-6-11-22(35)12-7-19)20-8-13-26-24(14-20)33(43)40(38-37-26)28(17-41)18-4-9-21(34)10-5-18/h4-16,28,41H,17H2,1-3H3,(H,36,42)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545010
PNG
(CHEMBL4641600)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3F)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H27F3N4O5S/c1-18-39-28-12-8-20(13-25(28)34(43)41(18)17-21-7-11-23(36)14-27(21)37)24-15-26-30(16-29(24)40(3)47(4,44)45)46-32(31(26)33(42)38-2)19-5-9-22(35)10-6-19/h5-16H,17H2,1-4H3,(H,38,42)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235893
PNG
(US9364482, 74)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(C)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-13-21(14-26-30(18)37-38-40(33(26)42)17-19-5-9-22(34)10-6-19)24-15-25-28(16-27(24)39(3)46(4,43)44)45-31(29(25)32(41)36-2)20-7-11-23(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235879
PNG
(US9364482, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(CNC(C)=O)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H31F2N5O6S/c1-20(44)40-18-32-41-29-14-9-23(15-27(29)36(46)43(32)19-21-5-10-24(37)11-6-21)26-16-28-31(17-30(26)42(3)50(4,47)48)49-34(33(28)35(45)39-2)22-7-12-25(38)13-8-22/h5-17H,18-19H2,1-4H3,(H,39,45)(H,40,44)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235828
PNG
(US9364482, 2)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(=O)c2n1)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235891
PNG
(US9364482, 72)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1C)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-13-27-25(33(42)40(38-37-27)17-19-5-9-21(34)10-6-19)14-23(18)24-15-26-29(16-28(24)39(3)46(4,43)44)45-31(30(26)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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n/an/an/an/a 6.60n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235866
PNG
(US9364482, 41)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn([C@@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H29F2N5O6S/c1-37-33(42)31-26-16-24(28(40(2)48(4,44)45)17-30(26)47-32(31)20-7-12-23(36)13-8-20)21-9-14-27-25(15-21)34(43)41(39-38-27)29(18-46-3)19-5-10-22(35)11-6-19/h5-17,29H,18H2,1-4H3,(H,37,42)/t29-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235889
PNG
(US9364482, 70)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1F)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F3N5O5S/c1-36-31(41)29-24-13-22(27(39(2)46(3,43)44)15-28(24)45-30(29)18-6-10-20(34)11-7-18)21-12-23-26(14-25(21)35)37-38-40(32(23)42)16-17-4-8-19(33)9-5-17/h4-15H,16H2,1-3H3,(H,36,41)
PDB

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n/an/an/an/a 2.90n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235891
PNG
(US9364482, 72)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1C)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-13-27-25(33(42)40(38-37-27)17-19-5-9-21(34)10-6-19)14-23(18)24-15-26-29(16-28(24)39(3)46(4,43)44)45-31(30(26)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235874
PNG
(US9364482, 49)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(Cc3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN4O5S/c1-35-32(39)30-26-16-24(22-11-14-27-25(15-22)33(40)38(19-36-27)18-20-7-5-4-6-8-20)28(37(2)44(3,41)42)17-29(26)43-31(30)21-9-12-23(34)13-10-21/h4-17,19H,18H2,1-3H3,(H,35,39)
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n/an/an/an/a 9.40n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235880
PNG
(US9364482, 55)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O5S/c1-19-38-28-14-9-22(15-26(28)34(42)40(19)18-20-5-10-23(35)11-6-20)25-16-27-30(17-29(25)39(3)46(4,43)44)45-32(31(27)33(41)37-2)21-7-12-24(36)13-8-21/h5-17H,18H2,1-4H3,(H,37,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM208267
PNG
(US9265773, 2)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235828
PNG
(US9364482, 2)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(=O)c2n1)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235866
PNG
(US9364482, 41)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn([C@@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H29F2N5O6S/c1-37-33(42)31-26-16-24(28(40(2)48(4,44)45)17-30(26)47-32(31)20-7-12-23(36)13-8-20)21-9-14-27-25(15-21)34(43)41(39-38-27)29(18-46-3)19-5-10-22(35)11-6-19/h5-17,29H,18H2,1-4H3,(H,37,42)/t29-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235879
PNG
(US9364482, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(CNC(C)=O)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H31F2N5O6S/c1-20(44)40-18-32-41-29-14-9-23(15-27(29)36(46)43(32)19-21-5-10-24(37)11-6-21)26-16-28-31(17-30(26)42(3)50(4,47)48)49-34(33(28)35(45)39-2)22-7-12-25(38)13-8-22/h5-17H,18-19H2,1-4H3,(H,39,45)(H,40,44)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
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n/an/an/an/a 4.60n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235864
PNG
(US9364482, 39)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn([C@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H29F2N5O6S/c1-37-33(42)31-26-16-24(28(40(2)48(4,44)45)17-30(26)47-32(31)20-7-12-23(36)13-8-20)21-9-14-27-25(15-21)34(43)41(39-38-27)29(18-46-3)19-5-10-22(35)11-6-19/h5-17,29H,18H2,1-4H3,(H,37,42)/t29-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235864
PNG
(US9364482, 39)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn([C@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H29F2N5O6S/c1-37-33(42)31-26-16-24(28(40(2)48(4,44)45)17-30(26)47-32(31)20-7-12-23(36)13-8-20)21-9-14-27-25(15-21)34(43)41(39-38-27)29(18-46-3)19-5-10-22(35)11-6-19/h5-17,29H,18H2,1-4H3,(H,37,42)/t29-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235887
PNG
(US9364482, 68)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-37-26-14-13-25(38-30(26)33(42)40(18)17-19-5-9-21(34)10-6-19)23-15-24-28(16-27(23)39(3)46(4,43)44)45-31(29(24)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545008
PNG
(CHEMBL4648683)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cn3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-38-27-12-7-20(13-25(27)33(42)40(18)17-23-11-10-22(35)16-37-23)24-14-26-29(15-28(24)39(3)46(4,43)44)45-31(30(26)32(41)36-2)19-5-8-21(34)9-6-19/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235869
PNG
(US9364482, 44)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F2N5O5S/c1-35-31(40)29-25-15-23(27(38(2)45(3,42)43)16-28(25)44-30(29)19-6-11-22(34)12-7-19)20-8-13-26-24(14-20)32(41)39(37-36-26)17-18-4-9-21(33)10-5-18/h4-16H,17H2,1-3H3,(H,35,40)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235879
PNG
(US9364482, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(CNC(C)=O)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H31F2N5O6S/c1-20(44)40-18-32-41-29-14-9-23(15-27(29)36(46)43(32)19-21-5-10-24(37)11-6-21)26-16-28-31(17-30(26)42(3)50(4,47)48)49-34(33(28)35(45)39-2)22-7-12-25(38)13-8-22/h5-17H,18-19H2,1-4H3,(H,39,45)(H,40,44)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235887
PNG
(US9364482, 68)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-37-26-14-13-25(38-30(26)33(42)40(18)17-19-5-9-21(34)10-6-19)23-15-24-28(16-27(23)39(3)46(4,43)44)45-31(29(24)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545011
PNG
(CHEMBL4644026)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n([C@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C36H32F2N4O6S/c1-20-40-29-15-10-23(16-27(29)36(44)42(20)31(19-47-4)21-6-11-24(37)12-7-21)26-17-28-32(18-30(26)41(3)49(5,45)46)48-34(33(28)35(43)39-2)22-8-13-25(38)14-9-22/h6-18,31H,19H2,1-5H3,(H,39,43)/t31-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235874
PNG
(US9364482, 49)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(Cc3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN4O5S/c1-35-32(39)30-26-16-24(22-11-14-27-25(15-22)33(40)38(19-36-27)18-20-7-5-4-6-8-20)28(37(2)44(3,41)42)17-29(26)43-31(30)21-9-12-23(34)13-10-21/h4-17,19H,18H2,1-3H3,(H,35,39)
PDB

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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
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n/an/an/an/a 3.90n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235893
PNG
(US9364482, 74)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(C)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-13-21(14-26-30(18)37-38-40(33(26)42)17-19-5-9-22(34)10-6-19)24-15-25-28(16-27(24)39(3)46(4,43)44)45-31(29(25)32(41)36-2)20-7-11-23(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545011
PNG
(CHEMBL4644026)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n([C@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C36H32F2N4O6S/c1-20-40-29-15-10-23(16-27(29)36(44)42(20)31(19-47-4)21-6-11-24(37)12-7-21)26-17-28-32(18-30(26)41(3)49(5,45)46)48-34(33(28)35(43)39-2)22-8-13-25(38)14-9-22/h6-18,31H,19H2,1-5H3,(H,39,43)/t31-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235828
PNG
(US9364482, 2)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(=O)c2n1)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545012
PNG
(CHEMBL4645241)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n([C@@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C36H32F2N4O6S/c1-20-40-29-15-10-23(16-27(29)36(44)42(20)31(19-47-4)21-6-11-24(37)12-7-21)26-17-28-32(18-30(26)41(3)49(5,45)46)48-34(33(28)35(43)39-2)22-8-13-25(38)14-9-22/h6-18,31H,19H2,1-5H3,(H,39,43)/t31-/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235864
PNG
(US9364482, 39)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn([C@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H29F2N5O6S/c1-37-33(42)31-26-16-24(28(40(2)48(4,44)45)17-30(26)47-32(31)20-7-12-23(36)13-8-20)21-9-14-27-25(15-21)34(43)41(39-38-27)29(18-46-3)19-5-10-22(35)11-6-19/h5-17,29H,18H2,1-4H3,(H,37,42)/t29-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235879
PNG
(US9364482, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(CNC(C)=O)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H31F2N5O6S/c1-20(44)40-18-32-41-29-14-9-23(15-27(29)36(46)43(32)19-21-5-10-24(37)11-6-21)26-16-28-31(17-30(26)42(3)50(4,47)48)49-34(33(28)35(45)39-2)22-7-12-25(38)13-8-22/h5-17H,18-19H2,1-4H3,(H,39,45)(H,40,44)
PDB

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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235889
PNG
(US9364482, 70)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1F)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F3N5O5S/c1-36-31(41)29-24-13-22(27(39(2)46(3,43)44)15-28(24)45-30(29)18-6-10-20(34)11-7-18)21-12-23-26(14-25(21)35)37-38-40(32(23)42)16-17-4-8-19(33)9-5-17/h4-15H,16H2,1-3H3,(H,36,41)
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n/an/an/an/a 1.20n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235874
PNG
(US9364482, 49)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(Cc3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN4O5S/c1-35-32(39)30-26-16-24(22-11-14-27-25(15-22)33(40)38(19-36-27)18-20-7-5-4-6-8-20)28(37(2)44(3,41)42)17-29(26)43-31(30)21-9-12-23(34)13-10-21/h4-17,19H,18H2,1-3H3,(H,35,39)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235878
PNG
(US9364482, 53)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)
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n/an/an/an/a 0.900n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235887
PNG
(US9364482, 68)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-37-26-14-13-25(38-30(26)33(42)40(18)17-19-5-9-21(34)10-6-19)23-15-24-28(16-27(23)39(3)46(4,43)44)45-31(29(24)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545010
PNG
(CHEMBL4641600)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3F)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H27F3N4O5S/c1-18-39-28-12-8-20(13-25(28)34(43)41(18)17-21-7-11-23(36)14-27(21)37)24-15-26-30(16-29(24)40(3)47(4,44)45)46-32(31(26)33(42)38-2)19-5-9-22(35)10-6-19/h5-16H,17H2,1-4H3,(H,38,42)
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n/an/an/an/a 0.700n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545011
PNG
(CHEMBL4644026)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n([C@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C36H32F2N4O6S/c1-20-40-29-15-10-23(16-27(29)36(44)42(20)31(19-47-4)21-6-11-24(37)12-7-21)26-17-28-32(18-30(26)41(3)49(5,45)46)48-34(33(28)35(43)39-2)22-8-13-25(38)14-9-22/h6-18,31H,19H2,1-5H3,(H,39,43)/t31-/m1/s1
PDB

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n/an/an/an/a 2.40n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235892
PNG
(US9364482, 73)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1Cl)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24ClF2N5O5S/c1-36-31(41)29-24-13-22(27(39(2)46(3,43)44)15-28(24)45-30(29)18-6-10-20(35)11-7-18)21-12-23-26(14-25(21)33)37-38-40(32(23)42)16-17-4-8-19(34)9-5-17/h4-15H,16H2,1-3H3,(H,36,41)
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50545006
PNG
(CHEMBL4636179)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn(C(C)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18(19-5-10-22(34)11-6-19)40-33(42)25-15-21(9-14-27(25)37-38-40)24-16-26-29(17-28(24)39(3)46(4,43)44)45-31(30(26)32(41)36-2)20-7-12-23(35)13-8-20/h5-18H,1-4H3,(H,36,41)
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n/an/an/an/a 15n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235878
PNG
(US9364482, 53)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)
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n/an/an/an/a 4.10n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235832
PNG
(US9364482, 6)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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n/an/an/an/a 0.700n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235867
PNG
(US9364482, 42)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn(Cc3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN5O5S/c1-34-31(39)29-25-16-23(21-11-14-26-24(15-21)32(40)38(36-35-26)18-19-7-5-4-6-8-19)27(37(2)44(3,41)42)17-28(25)43-30(29)20-9-12-22(33)13-10-20/h4-17H,18H2,1-3H3,(H,34,39)
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n/an/an/an/a 335n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235873
PNG
(US9364482, 48)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn(Cc3ccc(F)cn3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N6O5S/c1-34-30(40)28-24-13-22(26(38(2)45(3,42)43)14-27(24)44-29(28)17-4-7-19(32)8-5-17)18-6-11-25-23(12-18)31(41)39(37-36-25)16-21-10-9-20(33)15-35-21/h4-15H,16H2,1-3H3,(H,34,40)
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n/an/an/an/a 446n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235874
PNG
(US9364482, 49)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(Cc3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN4O5S/c1-35-32(39)30-26-16-24(22-11-14-27-25(15-22)33(40)38(19-36-27)18-20-7-5-4-6-8-20)28(37(2)44(3,41)42)17-29(26)43-31(30)21-9-12-23(34)13-10-21/h4-17,19H,18H2,1-3H3,(H,35,39)
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n/an/an/an/a 190n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM235866
PNG
(US9364482, 41)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nnn([C@@H](COC)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H29F2N5O6S/c1-37-33(42)31-26-16-24(28(40(2)48(4,44)45)17-30(26)47-32(31)20-7-12-23(36)13-8-20)21-9-14-27-25(15-21)34(43)41(39-38-27)29(18-46-3)19-5-10-22(35)11-6-19/h5-17,29H,18H2,1-4H3,(H,37,42)/t29-/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127004
BindingDB Entry DOI: 10.7270/Q2K077VN
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%