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PubMed code 15013003

Compile data set for download or QSAR
Found 54 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)		BDBM50142042
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142047
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)-c1nnn[nH]1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N8O4/c39-29(33-25(30(40)41)14-20-15-31-23-8-6-17(12-22(20)23)27-34-36-37-35-27)18-7-9-26-24(13-18)32-28(19-10-11-42-16-19)38(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,39)(H,40,41)(H,34,35,36,37)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142043
PNG
((2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyc...)
Show SMILES OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H30N4O7/c36-28(37)17-42-22-7-8-24-23(14-22)20(15-32-24)13-26(31(39)40)34-30(38)18-6-9-27-25(12-18)33-29(19-10-11-41-16-19)35(27)21-4-2-1-3-5-21/h6-12,14-16,21,26,32H,1-5,13,17H2,(H,34,38)(H,36,37)(H,39,40)/t26-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142041
PNG
(3-{(S)-2-Carboxy-2-[(1-cyclohexyl-2-furan-3-yl-1H-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C(O)=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N4O6/c35-28(33-25(30(38)39)14-20-15-31-23-8-6-18(29(36)37)12-22(20)23)17-7-9-26-24(13-17)32-27(19-10-11-40-16-19)34(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,35)(H,36,37)(H,38,39)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142056
PNG
((S)-3-(5-Carbamoyl-1H-indol-3-yl)-2-[(1-cyclohexyl...)
Show SMILES NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H29N5O5/c31-27(36)17-6-8-23-22(12-17)20(15-32-23)14-25(30(38)39)34-29(37)18-7-9-26-24(13-18)33-28(19-10-11-40-16-19)35(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,32H,1-5,14H2,(H2,31,36)(H,34,37)(H,38,39)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142052
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142045
PNG
((S)-3-(5-Acetylamino-1H-indol-3-yl)-2-[(1-cyclohex...)
Show SMILES CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H31N5O5/c1-18(37)33-22-8-9-25-24(15-22)21(16-32-25)14-27(31(39)40)35-30(38)19-7-10-28-26(13-19)34-29(20-11-12-41-17-20)36(28)23-5-3-2-4-6-23/h7-13,15-17,23,27,32H,2-6,14H2,1H3,(H,33,37)(H,35,38)(H,39,40)/t27-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142053
PNG
((S)-3-(5-Amino-1H-indol-3-yl)-2-[(1-cyclohexyl-2-f...)
Show SMILES Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C29H29N5O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13,30H2,(H,33,35)(H,36,37)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142044
PNG
((S)-3-[5-(1-Carboxy-1-methyl-ethoxy)-1H-indol-3-yl...)
Show SMILES CC(C)(Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1)C(O)=O
Show InChI InChI=1S/C33H34N4O7/c1-33(2,32(41)42)44-23-9-10-25-24(16-23)21(17-34-25)15-27(31(39)40)36-30(38)19-8-11-28-26(14-19)35-29(20-12-13-43-18-20)37(28)22-6-4-3-5-7-22/h8-14,16-18,22,27,34H,3-7,15H2,1-2H3,(H,36,38)(H,39,40)(H,41,42)/t27-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142049
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H31N5O6S/c1-42(39,40)34-21-8-9-24-23(15-21)20(16-31-24)14-26(30(37)38)33-29(36)18-7-10-27-25(13-18)32-28(19-11-12-41-17-19)35(27)22-5-3-2-4-6-22/h7-13,15-17,22,26,31,34H,2-6,14H2,1H3,(H,33,36)(H,37,38)/t26-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142050
PNG
((S)-2-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]im...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C30H29N5O4/c36-21-10-11-23-22(16-21)19(17-32-23)15-26(30(38)39)34-29(37)18-9-12-27-25(14-18)33-28(24-8-4-5-13-31-24)35(27)20-6-2-1-3-7-20/h4-5,8-14,16-17,20,26,32,36H,1-3,6-7,15H2,(H,34,37)(H,38,39)/t26-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142048
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28F3N5O6S/c31-30(32,33)45(42,43)37-20-7-8-23-22(14-20)19(15-34-23)13-25(29(40)41)36-28(39)17-6-9-26-24(12-17)35-27(18-10-11-44-16-18)38(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,34,37H,1-5,13H2,(H,36,39)(H,40,41)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142069
PNG
((R)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES Cn1cc(C[C@@H](NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)C(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C30H30N4O5/c1-33-16-20(23-15-22(35)8-10-26(23)33)14-25(30(37)38)32-29(36)18-7-9-27-24(13-18)31-28(19-11-12-39-17-19)34(27)21-5-3-2-4-6-21/h7-13,15-17,21,25,35H,2-6,14H2,1H3,(H,32,36)(H,37,38)/t25-/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142065
PNG
(CHEMBL177283 | [(1-Cyclohexyl-2-furan-3-yl-1H-benz...)
Show SMILES COc1ccc(cc1OC)[C@H](NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1)C(O)=O
Show InChI InChI=1S/C28H29N3O6/c1-35-23-11-9-17(15-24(23)36-2)25(28(33)34)30-27(32)18-8-10-22-21(14-18)29-26(19-12-13-37-16-19)31(22)20-6-4-3-5-7-20/h8-16,20,25H,3-7H2,1-2H3,(H,30,32)(H,33,34)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142061
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142051
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H30N4O5/c1-38-22-8-9-24-23(15-22)20(16-31-24)14-26(30(36)37)33-29(35)18-7-10-27-25(13-18)32-28(19-11-12-39-17-19)34(27)21-5-3-2-4-6-21/h7-13,15-17,21,26,31H,2-6,14H2,1H3,(H,33,35)(H,36,37)/t26-/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142064
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C27H27N3O5/c31-21-9-6-17(7-10-21)14-23(27(33)34)29-26(32)18-8-11-24-22(15-18)28-25(19-12-13-35-16-19)30(24)20-4-2-1-3-5-20/h6-13,15-16,20,23,31H,1-5,14H2,(H,29,32)(H,33,34)/t23-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142057
PNG
(2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1C[C@H](NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1)C(O)=O
Show InChI InChI=1S/C30H30N4O5/c1-17-22(23-14-21(35)8-9-24(23)31-17)15-26(30(37)38)33-29(36)18-7-10-27-25(13-18)32-28(19-11-12-39-16-19)34(27)20-5-3-2-4-6-20/h7-14,16,20,26,31,35H,2-6,15H2,1H3,(H,33,36)(H,37,38)/t26-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142062
PNG
((R)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142063
PNG
(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carb...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c2c1
Show InChI InChI=1S/C28H28N4O3/c33-22-7-8-24-23(15-22)19(16-30-24)10-12-29-28(34)18-6-9-26-25(14-18)31-27(20-11-13-35-17-20)32(26)21-4-2-1-3-5-21/h6-9,11,13-17,21,30,33H,1-5,10,12H2,(H,29,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142070
PNG
((S)-2-[(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidaz...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C28H28N4O4/c33-21-12-9-18(10-13-21)16-24(28(35)36)31-27(34)19-11-14-25-23(17-19)30-26(22-8-4-5-15-29-22)32(25)20-6-2-1-3-7-20/h4-5,8-15,17,20,24,33H,1-3,6-7,16H2,(H,31,34)(H,35,36)/t24-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50137488
PNG
(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carb...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142066
PNG
((S)-2-[(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidaz...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C30H29N5O3/c36-29(34-26(30(37)38)17-20-18-32-23-11-5-4-10-22(20)23)19-13-14-27-25(16-19)33-28(24-12-6-7-15-31-24)35(27)21-8-2-1-3-9-21/h4-7,10-16,18,21,26,32H,1-3,8-9,17H2,(H,34,36)(H,37,38)/t26-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142067
PNG
(CHEMBL176017 | [(1-Cyclohexyl-2-pyridin-2-yl-1H-be...)
Show SMILES COc1ccc(cc1OC)[C@H](NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C29H30N4O5/c1-37-24-14-12-18(17-25(24)38-2)26(29(35)36)32-28(34)19-11-13-23-22(16-19)31-27(21-10-6-7-15-30-21)33(23)20-8-4-3-5-9-20/h6-7,10-17,20,26H,3-5,8-9H2,1-2H3,(H,32,34)(H,35,36)/t26-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142055
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H27N5O6/c35-28(32-25(29(36)37)13-19-15-30-23-8-7-21(34(38)39)14-22(19)23)17-6-9-26-24(12-17)31-27(18-10-11-40-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142068
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES Cc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H30N4O4/c1-18-7-9-24-23(13-18)21(16-31-24)15-26(30(36)37)33-29(35)19-8-10-27-25(14-19)32-28(20-11-12-38-17-20)34(27)22-5-3-2-4-6-22/h7-14,16-17,22,26,31H,2-6,15H2,1H3,(H,33,35)(H,36,37)/t26-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142059
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H27FN4O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13H2,(H,33,35)(H,36,37)/t25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142058
PNG
(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES COc1ccc(cc1OC)[C@@H](C)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C29H32N4O3/c1-19(20-13-15-26(35-2)27(18-20)36-3)31-29(34)21-12-14-25-24(17-21)32-28(23-11-7-8-16-30-23)33(25)22-9-5-4-6-10-22/h7-8,11-19,22H,4-6,9-10H2,1-3H3,(H,31,34)/t19-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142054
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C27H27N3O4/c31-26(29-23(27(32)33)15-18-7-3-1-4-8-18)19-11-12-24-22(16-19)28-25(20-13-14-34-17-20)30(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,16-17,21,23H,2,5-6,9-10,15H2,(H,29,31)(H,32,33)/t23-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50137468
PNG
(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1OC
Show InChI InChI=1S/C28H30N4O3/c1-34-25-14-11-19(16-26(25)35-2)18-30-28(33)20-12-13-24-23(17-20)31-27(22-10-6-7-15-29-22)32(24)21-8-4-3-5-9-21/h6-7,10-17,21H,3-5,8-9,18H2,1-2H3,(H,30,33)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142046
PNG
((S)-2-[(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidaz...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C28H28N4O3/c33-27(31-24(28(34)35)17-19-9-3-1-4-10-19)20-14-15-25-23(18-20)30-26(22-13-7-8-16-29-22)32(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-16,18,21,24H,2,5-6,11-12,17H2,(H,31,33)(H,34,35)/t24-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50142060
PNG
(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES COc1ccc(cc1OC)[C@H](C)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1
Show InChI InChI=1S/C29H32N4O3/c1-19(20-13-15-26(35-2)27(18-20)36-3)31-29(34)21-12-14-25-24(17-21)32-28(23-11-7-8-16-30-23)33(25)22-9-5-4-6-10-22/h7-8,11-19,22H,4-6,9-10H2,1-3H3,(H,31,34)/t19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142052
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142043
PNG
((2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyc...)
Show SMILES OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H30N4O7/c36-28(37)17-42-22-7-8-24-23(14-22)20(15-32-24)13-26(31(39)40)34-30(38)18-6-9-27-25(12-18)33-29(19-10-11-41-16-19)35(27)21-4-2-1-3-5-21/h6-12,14-16,21,26,32H,1-5,13,17H2,(H,34,38)(H,36,37)(H,39,40)/t26-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142045
PNG
((S)-3-(5-Acetylamino-1H-indol-3-yl)-2-[(1-cyclohex...)
Show SMILES CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H31N5O5/c1-18(37)33-22-8-9-25-24(15-22)21(16-32-25)14-27(31(39)40)35-30(38)19-7-10-28-26(13-19)34-29(20-11-12-41-17-20)36(28)23-5-3-2-4-6-23/h7-13,15-17,23,27,32H,2-6,14H2,1H3,(H,33,37)(H,35,38)(H,39,40)/t27-/m0/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142044
PNG
((S)-3-[5-(1-Carboxy-1-methyl-ethoxy)-1H-indol-3-yl...)
Show SMILES CC(C)(Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1)C(O)=O
Show InChI InChI=1S/C33H34N4O7/c1-33(2,32(41)42)44-23-9-10-25-24(16-23)21(17-34-25)15-27(31(39)40)36-30(38)19-8-11-28-26(14-19)35-29(20-12-13-43-18-20)37(28)22-6-4-3-5-7-22/h8-14,16-18,22,27,34H,3-7,15H2,1-2H3,(H,36,38)(H,39,40)(H,41,42)/t27-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142041
PNG
(3-{(S)-2-Carboxy-2-[(1-cyclohexyl-2-furan-3-yl-1H-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C(O)=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N4O6/c35-28(33-25(30(38)39)14-20-15-31-23-8-6-18(29(36)37)12-22(20)23)17-7-9-26-24(13-17)32-27(19-10-11-40-16-19)34(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,35)(H,36,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142056
PNG
((S)-3-(5-Carbamoyl-1H-indol-3-yl)-2-[(1-cyclohexyl...)
Show SMILES NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H29N5O5/c31-27(36)17-6-8-23-22(12-17)20(15-32-23)14-25(30(38)39)34-29(37)18-7-9-26-24(13-18)33-28(19-10-11-40-16-19)35(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,32H,1-5,14H2,(H2,31,36)(H,34,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142047
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)-c1nnn[nH]1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N8O4/c39-29(33-25(30(40)41)14-20-15-31-23-8-6-17(12-22(20)23)27-34-36-37-35-27)18-7-9-26-24(13-18)32-28(19-10-11-42-16-19)38(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,39)(H,40,41)(H,34,35,36,37)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142052
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142061
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142043
PNG
((2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyc...)
Show SMILES OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H30N4O7/c36-28(37)17-42-22-7-8-24-23(14-22)20(15-32-24)13-26(31(39)40)34-30(38)18-6-9-27-25(12-18)33-29(19-10-11-41-16-19)35(27)21-4-2-1-3-5-21/h6-12,14-16,21,26,32H,1-5,13,17H2,(H,34,38)(H,36,37)(H,39,40)/t26-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142048
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28F3N5O6S/c31-30(32,33)45(42,43)37-20-7-8-23-22(14-20)19(15-34-23)13-25(29(40)41)36-28(39)17-6-9-26-24(12-17)35-27(18-10-11-44-16-18)38(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,34,37H,1-5,13H2,(H,36,39)(H,40,41)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142048
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28F3N5O6S/c31-30(32,33)45(42,43)37-20-7-8-23-22(14-20)19(15-34-23)13-25(29(40)41)36-28(39)17-6-9-26-24(12-17)35-27(18-10-11-44-16-18)38(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,34,37H,1-5,13H2,(H,36,39)(H,40,41)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142056
PNG
((S)-3-(5-Carbamoyl-1H-indol-3-yl)-2-[(1-cyclohexyl...)
Show SMILES NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H29N5O5/c31-27(36)17-6-8-23-22(12-17)20(15-32-23)14-25(30(38)39)34-29(37)18-7-9-26-24(13-18)33-28(19-10-11-40-16-19)35(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,32H,1-5,14H2,(H2,31,36)(H,34,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142047
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)-c1nnn[nH]1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N8O4/c39-29(33-25(30(40)41)14-20-15-31-23-8-6-17(12-22(20)23)27-34-36-37-35-27)18-7-9-26-24(13-18)32-28(19-10-11-42-16-19)38(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,39)(H,40,41)(H,34,35,36,37)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142053
PNG
((S)-3-(5-Amino-1H-indol-3-yl)-2-[(1-cyclohexyl-2-f...)
Show SMILES Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C29H29N5O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13,30H2,(H,33,35)(H,36,37)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142042
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142045
PNG
((S)-3-(5-Acetylamino-1H-indol-3-yl)-2-[(1-cyclohex...)
Show SMILES CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C31H31N5O5/c1-18(37)33-22-8-9-25-24(15-22)21(16-32-25)14-27(31(39)40)35-30(38)19-7-10-28-26(13-19)34-29(20-11-12-41-17-20)36(28)23-5-3-2-4-6-23/h7-13,15-17,23,27,32H,2-6,14H2,1H3,(H,33,37)(H,35,38)(H,39,40)/t27-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142041
PNG
(3-{(S)-2-Carboxy-2-[(1-cyclohexyl-2-furan-3-yl-1H-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C(O)=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C30H28N4O6/c35-28(33-25(30(38)39)14-20-15-31-23-8-6-18(29(36)37)12-22(20)23)17-7-9-26-24(13-17)32-27(19-10-11-40-16-19)34(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,35)(H,36,37)(H,38,39)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142042
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142061
PNG
((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m0/s1
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n/an/a 3.16E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142049
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C30H31N5O6S/c1-42(39,40)34-21-8-9-24-23(15-21)20(16-31-24)14-26(30(37)38)33-29(36)18-7-10-27-25(13-18)32-28(19-11-12-41-17-19)35(27)22-5-3-2-4-6-22/h7-13,15-17,22,26,31,34H,2-6,14H2,1H3,(H,33,36)(H,37,38)/t26-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50142053
PNG
((S)-3-(5-Amino-1H-indol-3-yl)-2-[(1-cyclohexyl-2-f...)
Show SMILES Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1
Show InChI InChI=1S/C29H29N5O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13,30H2,(H,33,35)(H,36,37)/t25-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus

Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%