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PubMed code 17125247

Compile data set for download or QSAR
Found 20 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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370763
PNG
(CHEMBL1203926)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1
Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199051
PNG
(3-benzyloxy-12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5ccccc5)cc4OCCn3c2c1
Show InChI InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370761
PNG
(CHEMBL1204385)
Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199043
PNG
(13-cyclohexyl-5-methyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C24H26N2O2/c1-25-13-14-26-21-15-17(24(27)28)11-12-18(21)22(16-7-3-2-4-8-16)23(26)19-9-5-6-10-20(19)25/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370762
PNG
(CHEMBL1203925)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NCCn3c2c1
Show InChI InChI=1S/C23H24N2O2/c26-23(27)16-10-11-18-20(14-16)25-13-12-24-19-9-5-4-8-17(19)22(25)21(18)15-6-2-1-3-7-15/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2,(H,26,27)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199042
PNG
(13-cyclohexyl-5-(dimethylcarbamoylmethyl)-6,7-dihy...)
Show SMILES CN(C)C(=O)CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H31N3O3/c1-28(2)24(31)17-29-14-15-30-23-16-19(27(32)33)12-13-20(23)25(18-8-4-3-5-9-18)26(30)21-10-6-7-11-22(21)29/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,32,33)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199046
PNG
(13-cyclohexyl-5-(2-phenylethyl)-6,7-dihydro-5H-ben...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCc4ccccc4)CCn3c2c1
Show InChI InChI=1S/C31H32N2O2/c34-31(35)24-15-16-25-28(21-24)33-20-19-32(18-17-22-9-3-1-4-10-22)27-14-8-7-13-26(27)30(33)29(25)23-11-5-2-6-12-23/h1,3-4,7-10,13-16,21,23H,2,5-6,11-12,17-20H2,(H,34,35)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199058
PNG
(12-cyclohexyl-6,7-dihydro-5-oxa-7a-azadibenzo[a,e]...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCCn3c2c1
Show InChI InChI=1S/C23H23NO3/c25-23(26)16-10-11-17-19(14-16)24-12-13-27-20-9-5-4-8-18(20)22(24)21(17)15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199048
PNG
(13-cyclohexyl-5-iso-propyl-6,7-dihydro-5H-benzo[5,...)
Show SMILES CC(C)N1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C26H30N2O2/c1-17(2)27-14-15-28-23-16-19(26(29)30)12-13-20(23)24(18-8-4-3-5-9-18)25(28)21-10-6-7-11-22(21)27/h6-7,10-13,16-18H,3-5,8-9,14-15H2,1-2H3,(H,29,30)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199049
PNG
(12-cyclohexyl-6,7-dihydro-5-thia-7a-azadibenzo[a,e...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4SCCn3c2c1
Show InChI InChI=1S/C23H23NO2S/c25-23(26)16-10-11-17-19(14-16)24-12-13-27-20-9-5-4-8-18(20)22(24)21(17)15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199047
PNG
(13-cyclohexyl-5-benzyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(Cc4ccccc4)CCn3c2c1
Show InChI InChI=1S/C30H30N2O2/c33-30(34)23-15-16-24-27(19-23)32-18-17-31(20-21-9-3-1-4-10-21)26-14-8-7-13-25(26)29(32)28(24)22-11-5-2-6-12-22/h1,3-4,7-10,13-16,19,22H,2,5-6,11-12,17-18,20H2,(H,33,34)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199050
PNG
(2-[(12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza-dibenzo...)
Show SMILES CC(C)(NC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCCn3c2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199054
PNG
(14-cyclohexyl-7,8-dihydro-6H-indole[1,2e][1,5]benz...)
Show SMILES OC(=O)c1ccc2C(C3CCCCC3)=C3C(CCCOc4ccccc34)c2c1
Show InChI InChI=1S/C25H26O3/c26-25(27)17-12-13-19-21(15-17)18-10-6-14-28-22-11-5-4-9-20(22)24(18)23(19)16-7-2-1-3-8-16/h4-5,9,11-13,15-16,18H,1-3,6-8,10,14H2,(H,26,27)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199056
PNG
(13-cyclohexyl-6,7-dihydro-5H-benzo[3,4]azepino[1,2...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4CCCn3c2c1
Show InChI InChI=1S/C24H25NO2/c26-24(27)18-12-13-20-21(15-18)25-14-6-10-16-7-4-5-11-19(16)23(25)22(20)17-8-2-1-3-9-17/h4-5,7,11-13,15,17H,1-3,6,8-10,14H2,(H,26,27)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199059
PNG
(2-(4-(benzyloxy)phenyl)-3-cyclohexyl-1-methyl-1H-i...)
Show SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H29NO3/c1-30-26-18-23(29(31)32)14-17-25(26)27(21-10-6-3-7-11-21)28(30)22-12-15-24(16-13-22)33-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,21H,3,6-7,10-11,19H2,1H3,(H,31,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199053
PNG
(5-acetyl-13-cyclohexyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CC(=O)N1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C25H26N2O3/c1-16(28)26-13-14-27-22-15-18(25(29)30)11-12-19(22)23(17-7-3-2-4-8-17)24(27)20-9-5-6-10-21(20)26/h5-6,9-12,15,17H,2-4,7-8,13-14H2,1H3,(H,29,30)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199052
PNG
(11-cyclohexyl-5-oxa-6a-azabenzo[a]fluorene-8-carbo...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCn3c2c1
Show InChI InChI=1S/C22H21NO3/c24-22(25)15-10-11-16-18(12-15)23-13-26-19-9-5-4-8-17(19)21(23)20(16)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,25)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199045
PNG
(12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4CCn3c2c1
Show InChI InChI=1S/C23H23NO2/c25-23(26)17-10-11-19-20(14-17)24-13-12-15-6-4-5-9-18(15)22(24)21(19)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199057
PNG
(11-cyclohexyl-6H-isoindolo[2,1-a]indole-3-carboxyl...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4Cn3c2c1
Show InChI InChI=1S/C22H21NO2/c24-22(25)15-10-11-18-19(12-15)23-13-16-8-4-5-9-17(16)21(23)20(18)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,25)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181950
PNG
(2-(4-(benzyloxy)phenyl)-1-cyclohexyl-1H-benzo[d]im...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H26N2O3/c30-27(31)21-13-16-25-24(17-21)28-26(29(25)22-9-5-2-6-10-22)20-11-14-23(15-12-20)32-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-17,22H,2,5-6,9-10,18H2,(H,30,31)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%