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PubMed code 16190757

Compile data set for download or QSAR
Found 67 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)
BDBM50174479
PNG
((Z)-2-Hydroxy-4-oxo-4-[3-(2,4,5-trichloro-benzenes...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
Show InChI InChI=1S/C16H10Cl3NO6S/c17-10-5-12(19)15(6-11(10)18)27(25,26)20-9-3-1-2-8(4-9)13(21)7-14(22)16(23)24/h1-6,20H,7H2,(H,23,24)
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PubMed
n/an/a 49n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174500
PNG
((Z)-4-[3-(4,5-Dichloro-2-cyano-benzyloxy)-phenyl]-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Cl)c(Cl)cc2C#N)c1
Show InChI InChI=1S/C18H11Cl2NO5/c19-14-5-11(8-21)12(6-15(14)20)9-26-13-3-1-2-10(4-13)16(22)7-17(23)18(24)25/h1-6H,7,9H2,(H,24,25)
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n/an/a 56n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137862
PNG
((Z)-4-[3-(5-Bromo-2-cyano-benzyloxy)-phenyl]-2-hyd...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Br)ccc2C#N)c1
Show InChI InChI=1S/C18H12BrNO5/c19-14-5-4-12(9-20)13(6-14)10-25-15-3-1-2-11(7-15)16(21)8-17(22)18(23)24/h1-7H,8,10H2,(H,23,24)
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n/an/a 100n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174471
PNG
((Z)-4-[3-(2-Chloro-6-cyano-benzyloxy)-5-hydroxy-ph...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(O)cc(OCc2c(Cl)cccc2C#N)c1
Show InChI InChI=1S/C18H12ClNO6/c19-15-3-1-2-10(8-20)14(15)9-26-13-5-11(4-12(21)6-13)16(22)7-17(23)18(24)25/h1-6,21H,7,9H2,(H,24,25)
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n/an/a 100n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174459
PNG
((Z)-4-[2-(3-Cyano-propoxy)-5-hydroxy-phenyl]-2-hyd...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(O)ccc1OCCCC#N
Show InChI InChI=1S/C14H13NO6/c15-5-1-2-6-21-13-4-3-9(16)7-10(13)11(17)8-12(18)14(19)20/h3-4,7,16H,1-2,6,8H2,(H,19,20)
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n/an/a 110n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174476
PNG
((Z)-4-[3-(3,5-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C16H11Cl2NO6S/c17-10-5-11(18)7-13(6-10)26(24,25)19-12-3-1-2-9(4-12)14(20)8-15(21)16(22)23/h1-7,19H,8H2,(H,22,23)
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n/an/a 140n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137875
PNG
(4-[2-(3-Cyano-propoxy)-phenyl]-2,4-dioxo-butyric a...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCCCC#N
Show InChI InChI=1S/C14H13NO5/c15-7-3-4-8-20-13-6-2-1-5-10(13)11(16)9-12(17)14(18)19/h1-2,5-6H,3-4,8-9H2,(H,18,19)
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n/an/a 380n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174502
PNG
((Z)-2-Hydroxy-4-[3-(naphthalen-1-ylmethoxy)-phenyl...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cccc3ccccc23)c1
Show InChI InChI=1S/C21H16O5/c22-19(12-20(23)21(24)25)15-7-4-9-17(11-15)26-13-16-8-3-6-14-5-1-2-10-18(14)16/h1-11H,12-13H2,(H,24,25)
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n/an/a 670n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174477
PNG
(3-[3-((Z)-3-Carboxy-3-hydroxy-acryloyl)-phenoxymet...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccsc2C(O)=O)c1
Show InChI InChI=1S/C16H12O7S/c17-12(7-13(18)15(19)20)9-2-1-3-11(6-9)23-8-10-4-5-24-14(10)16(21)22/h1-6H,7-8H2,(H,19,20)(H,21,22)
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n/an/a 950n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174473
PNG
((Z)-2-Hydroxy-4-(3-hydroxy-phenyl)-4-oxo-but-2-eno...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,11H,5H2,(H,14,15)
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n/an/a 1.00E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174478
PNG
((Z)-4-(3-Benzyloxy-5-hydroxy-phenyl)-2-hydroxy-4-o...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(O)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O6/c18-13-6-12(15(19)9-16(20)17(21)22)7-14(8-13)23-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,21,22)
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n/an/a 1.40E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174495
PNG
((Z)-4-(2,4-Dimethyl-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES Cc1ccc(C(=O)CC(=O)C(O)=O)c(C)c1
Show InChI InChI=1S/C12H12O4/c1-7-3-4-9(8(2)5-7)10(13)6-11(14)12(15)16/h3-5H,6H2,1-2H3,(H,15,16)
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n/an/a 2.00E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137858
PNG
(2,4-Dioxo-4-thiophen-3-yl-butyric acid | CHEMBL179...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1
Show InChI InChI=1S/C8H6O4S/c9-6(3-7(10)8(11)12)5-1-2-13-4-5/h1-2,4H,3H2,(H,11,12)
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n/an/a 4.00E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174460
PNG
((Z)-4-[1-(3-Cyano-benzyl)-1H-pyrrol-3-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccn(Cc2cccc(c2)C#N)c1
Show InChI InChI=1S/C16H12N2O4/c17-8-11-2-1-3-12(6-11)9-18-5-4-13(10-18)14(19)7-15(20)16(21)22/h1-6,10H,7,9H2,(H,21,22)
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n/an/a 4.60E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50115579
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
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n/an/a 5.60E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174454
PNG
((Z)-2-Hydroxy-4-oxo-4-[3-(5-phenyl-isoxazol-3-ylme...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(on2)-c2ccccc2)c1
Show InChI InChI=1S/C20H15NO6/c22-17(11-18(23)20(24)25)14-7-4-8-16(9-14)26-12-15-10-19(27-21-15)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,24,25)
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n/an/a 6.00E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174464
PNG
((Z)-4-[1-(2-Cyano-benzyl)-1H-pyrrol-2-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccccc1C#N
Show InChI InChI=1S/C16H12N2O4/c17-9-11-4-1-2-5-12(11)10-18-7-3-6-13(18)14(19)8-15(20)16(21)22/h1-7H,8,10H2,(H,21,22)
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n/an/a 6.30E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174498
PNG
(4-Adamantan-1-yl-2-hydroxy-4-oxo-but-2-enoic acid ...)
Show SMILES OC(=O)C(=O)CC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |THB:13:12:9:16.14.15,13:14:9:17.12.11|
Show InChI InChI=1S/C14H18O4/c15-11(13(17)18)4-12(16)14-5-8-1-9(6-14)3-10(2-8)7-14/h8-10H,1-7H2,(H,17,18)/t8-,9+,10-,14?
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n/an/a 6.70E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174455
PNG
((Z)-4-[1-(2,6-Difluoro-benzyl)-1H-pyrrol-2-yl]-2-h...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1c(F)cccc1F
Show InChI InChI=1S/C15H11F2NO4/c16-10-3-1-4-11(17)9(10)8-18-6-2-5-12(18)13(19)7-14(20)15(21)22/h1-6H,7-8H2,(H,21,22)
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n/an/a 7.40E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174458
PNG
((Z)-4-[2-(3-Chloro-phenylsulfanyl)-thiophen-3-yl]-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H9ClO4S2/c15-8-2-1-3-9(6-8)21-14-10(4-5-20-14)11(16)7-12(17)13(18)19/h1-6H,7H2,(H,18,19)
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n/an/a 7.50E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174504
PNG
((Z)-2-Hydroxy-4-[1-(3-methoxy-benzyl)-1H-pyrrol-2-...)
Show SMILES COc1cccc(Cn2cccc2C(=O)CC(=O)C(O)=O)c1
Show InChI InChI=1S/C16H15NO5/c1-22-12-5-2-4-11(8-12)10-17-7-3-6-13(17)14(18)9-15(19)16(20)21/h2-8H,9-10H2,1H3,(H,20,21)
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n/an/a 7.60E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50115572
PNG
((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 8.00E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174499
PNG
((Z)-4-(3,5-Dimethyl-thiophen-2-yl)-2-hydroxy-4-oxo...)
Show SMILES Cc1cc(C)c(s1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C10H10O4S/c1-5-3-6(2)15-9(5)7(11)4-8(12)10(13)14/h3H,4H2,1-2H3,(H,13,14)
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n/an/a 8.20E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174483
PNG
((Z)-2-Hydroxy-4-oxo-4-(5-piperidin-1-yl-thiophen-2...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(s1)N1CCCCC1
Show InChI InChI=1S/C13H15NO4S/c15-9(8-10(16)13(17)18)11-4-5-12(19-11)14-6-2-1-3-7-14/h4-5H,1-3,6-8H2,(H,17,18)
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n/an/a 8.20E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174506
PNG
((Z)-4-[2-(4-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Cc1ccc(F)cc1
Show InChI InChI=1S/C17H13FO4/c18-13-7-5-11(6-8-13)9-12-3-1-2-4-14(12)15(19)10-16(20)17(21)22/h1-8H,9-10H2,(H,21,22)
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n/an/a 8.30E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174480
PNG
((Z)-4-[3-(3-Fluoro-benzyl)-thiophen-2-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1sccc1Cc1cccc(F)c1
Show InChI InChI=1S/C15H11FO4S/c16-11-3-1-2-9(7-11)6-10-4-5-21-14(10)12(17)8-13(18)15(19)20/h1-5,7H,6,8H2,(H,19,20)
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n/an/a 9.90E+3n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174491
PNG
((Z)-2-Hydroxy-4-oxo-4-m-tolyl-but-2-enoic acid | C...)
Show SMILES Cc1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-3-2-4-8(5-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 1.20E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174453
PNG
((Z)-2-Hydroxy-4-[1-(4-hydroxy-benzyl)-1H-pyrrol-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(O)cc1
Show InChI InChI=1S/C15H13NO5/c17-11-5-3-10(4-6-11)9-16-7-1-2-12(16)13(18)8-14(19)15(20)21/h1-7,17H,8-9H2,(H,20,21)
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n/an/a 1.30E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174508
PNG
((Z)-2-Hydroxy-4-(1-naphthalen-2-ylmethyl-1H-pyrrol...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO4/c21-17(11-18(22)19(23)24)16-6-3-9-20(16)12-13-7-8-14-4-1-2-5-15(14)10-13/h1-10H,11-12H2,(H,23,24)
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n/an/a 1.30E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174485
PNG
((Z)-4-[1-(4-Cyano-butyl)-1H-pyrrol-2-yl]-2-hydroxy...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1CCCCC#N
Show InChI InChI=1S/C13H14N2O4/c14-6-2-1-3-7-15-8-4-5-10(15)11(16)9-12(17)13(18)19/h4-5,8H,1-3,7,9H2,(H,18,19)
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n/an/a 1.30E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174494
PNG
((Z)-4-(2,5-Dimethyl-furan-3-yl)-2-hydroxy-4-oxo-bu...)
Show SMILES Cc1cc(C(=O)CC(=O)C(O)=O)c(C)o1
Show InChI InChI=1S/C10H10O5/c1-5-3-7(6(2)15-5)8(11)4-9(12)10(13)14/h3H,4H2,1-2H3,(H,13,14)
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n/an/a 1.40E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174457
PNG
((Z)-6-[4-(4-Fluoro-benzoyl)-1-methyl-1H-pyrrol-2-y...)
Show SMILES Cn1cc(cc1C=CC(=O)CC(=O)C(O)=O)C(=O)c1ccc(F)cc1 |w:7.8|
Show InChI InChI=1S/C18H14FNO5/c1-20-10-12(17(23)11-2-4-13(19)5-3-11)8-14(20)6-7-15(21)9-16(22)18(24)25/h2-8,10H,9H2,1H3,(H,24,25)
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n/an/a 1.60E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50142743
PNG
((E)-6-[1-(4-Methoxy-benzyl)-1H-pyrrol-2-yl]-2,4-di...)
Show SMILES COc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:13.14|
Show InChI InChI=1S/C18H17NO5/c1-24-16-8-4-13(5-9-16)12-19-10-2-3-14(19)6-7-15(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)
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n/an/a 1.60E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
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n/an/a 1.70E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174461
PNG
((Z)-6-((E)-5-Chloro-1H-indol-3-yl)-2-hydroxy-4-oxo...)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1c[nH]c2ccc(Cl)cc12 |w:8.7|
Show InChI InChI=1S/C14H10ClNO4/c15-9-2-4-12-11(5-9)8(7-16-12)1-3-10(17)6-13(18)14(19)20/h1-5,7,16H,6H2,(H,19,20)
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n/an/a 1.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174496
PNG
((Z)-4-[2-(4-Fluoro-benzyl)-thiophen-3-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H11FO4S/c16-10-3-1-9(2-4-10)7-14-11(5-6-21-14)12(17)8-13(18)15(19)20/h1-6H,7-8H2,(H,19,20)
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n/an/a 1.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174484
PNG
((Z)-4-[1-(4-Fluoro-benzyl)-4-iodo-1H-pyrrol-2-yl]-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(I)cn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H11FINO4/c16-10-3-1-9(2-4-10)7-18-8-11(17)5-12(18)13(19)6-14(20)15(21)22/h1-5,8H,6-7H2,(H,21,22)
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n/an/a 1.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174490
PNG
((Z)-6-[1-(3-Fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydro...)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1cccc(F)c1 |w:8.7|
Show InChI InChI=1S/C17H14FNO4/c18-13-4-1-3-12(9-13)11-19-8-2-5-14(19)6-7-15(20)10-16(21)17(22)23/h1-9H,10-11H2,(H,22,23)
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n/an/a 1.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174493
PNG
((Z)-6-[1-((E)-obenzyl)-1H-Pyrrol-2-yl]-2-hydroxy-4...)
Show SMILES Cc1ccccc1Cn1cccc1C=CC(=O)CC(=O)C(O)=O |w:14.16|
Show InChI InChI=1S/C18H17NO4/c1-13-5-2-3-6-14(13)12-19-10-4-7-15(19)8-9-16(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)
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n/an/a 1.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174462
PNG
((Z)-2-Hydroxy-4-[3-(oxalyl-amino)-phenyl]-4-oxo-bu...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NC(=O)C(O)=O)c1
Show InChI InChI=1S/C12H9NO7/c14-8(5-9(15)11(17)18)6-2-1-3-7(4-6)13-10(16)12(19)20/h1-4H,5H2,(H,13,16)(H,17,18)(H,19,20)
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n/an/a 1.90E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50152569
PNG
(2,4-Dioxo-4-(3-phenoxy-phenyl)-butyric acid | CHEM...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H12O5/c17-14(10-15(18)16(19)20)11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,20)
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n/an/a 1.90E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174487
PNG
((Z)-4-[5-(3-Fluoro-benzyl)-1-methyl-1H-pyrrol-3-yl...)
Show SMILES Cn1cc(cc1Cc1cccc(F)c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C16H14FNO4/c1-18-9-11(14(19)8-15(20)16(21)22)7-13(18)6-10-3-2-4-12(17)5-10/h2-5,7,9H,6,8H2,1H3,(H,21,22)
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n/an/a 2.10E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174467
PNG
((Z)-4-[1-(2-Chloro-benzyl)-1H-pyrrol-2-yl]-2-hydro...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccccc1Cl
Show InChI InChI=1S/C15H12ClNO4/c16-11-5-2-1-4-10(11)9-17-7-3-6-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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n/an/a 2.40E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174452
PNG
((Z)-4-(7-Chloro-4-oxo-1,4-dihydro-quinolin-3-yl)-2...)
Show SMILES OC(=O)C(=O)CC(=O)c1cnc2cc(Cl)ccc2c1O
Show InChI InChI=1S/C13H8ClNO5/c14-6-1-2-7-9(3-6)15-5-8(12(7)18)10(16)4-11(17)13(19)20/h1-3,5H,4H2,(H,15,18)(H,19,20)
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n/an/a 2.60E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174510
PNG
((Z)-4-(8-Fluoro-4H-thieno[3,2-c]chromen-2-yl)-2-hy...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc2COc3ccc(F)cc3-c2s1
Show InChI InChI=1S/C15H9FO5S/c16-8-1-2-12-9(4-8)14-7(6-21-12)3-13(22-14)10(17)5-11(18)15(19)20/h1-4H,5-6H2,(H,19,20)
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n/an/a 2.70E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50152548
PNG
(4-Biphenyl-3-yl-2,4-dioxo-butyric acid | CHEMBL185...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
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n/an/a 2.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50142735
PNG
((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...)
Show SMILES Cc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:12.13|
Show InChI InChI=1S/C18H17NO4/c1-13-4-6-14(7-5-13)12-19-10-2-3-15(19)8-9-16(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)
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n/an/a 2.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50095507
PNG
(4-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-butyric acid...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccccc1
Show InChI InChI=1S/C15H13NO4/c17-13(9-14(18)15(19)20)12-7-4-8-16(12)10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
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n/an/a 2.90E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174505
PNG
((Z)-4-[1-(3-Fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydro...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1cccc(F)c1
Show InChI InChI=1S/C15H12FNO4/c16-11-4-1-3-10(7-11)9-17-6-2-5-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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n/an/a 3.00E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174514
PNG
((Z)-4-[3-(3,5-Dibromo-benzyl)-phenyl]-2-hydroxy-4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2cc(Br)cc(Br)c2)c1
Show InChI InChI=1S/C17H12Br2O4/c18-13-6-11(7-14(19)8-13)4-10-2-1-3-12(5-10)15(20)9-16(21)17(22)23/h1-3,5-8H,4,9H2,(H,22,23)
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n/an/a 3.20E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174470
PNG
((Z)-2-Hydroxy-4-(3-methoxy-phenyl)-4-oxo-but-2-eno...)
Show SMILES COc1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O5/c1-16-8-4-2-3-7(5-8)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 4.00E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174469
PNG
((Z)-4-[5-(3-Chloro-4-fluoro-phenyl)-furan-2-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(o1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H8ClFO5/c15-8-5-7(1-2-9(8)16)12-3-4-13(21-12)10(17)6-11(18)14(19)20/h1-5H,6H2,(H,19,20)
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n/an/a 4.10E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137878
PNG
(4-(2-Benzyloxy-phenyl)-2,4-dioxo-butyric acid | 4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C17H14O5/c18-14(10-15(19)17(20)21)13-8-4-5-9-16(13)22-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 4.40E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174468
PNG
((Z)-4-(2,4-Dimethyl-furan-3-yl)-2-hydroxy-4-oxo-bu...)
Show SMILES Cc1coc(C)c1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C10H10O5/c1-5-4-15-6(2)9(5)7(11)3-8(12)10(13)14/h4H,3H2,1-2H3,(H,13,14)
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n/an/a 4.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174465
PNG
((Z)-4-[3-(Biphenyl-4-ylmethoxy)-phenyl]-2-hydroxy-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H18O5/c24-21(14-22(25)23(26)27)19-7-4-8-20(13-19)28-15-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13H,14-15H2,(H,26,27)
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n/an/a 5.00E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174512
PNG
((Z)-2-Hydroxy-4-oxo-4-[3-(3-phenoxy-benzyloxy)-phe...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cccc(Oc3ccccc3)c2)c1
Show InChI InChI=1S/C23H18O6/c24-21(14-22(25)23(26)27)17-7-5-10-19(13-17)28-15-16-6-4-11-20(12-16)29-18-8-2-1-3-9-18/h1-13H,14-15H2,(H,26,27)
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n/an/a 5.00E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137880
PNG
(4-Furan-2-yl-2,4-dioxo-butyric acid | CHEMBL177529...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccco1
Show InChI InChI=1S/C8H6O5/c9-5(4-6(10)8(11)12)7-2-1-3-13-7/h1-3H,4H2,(H,11,12)
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n/an/a 5.00E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174472
PNG
((Z)-2-Hydroxy-4-(5-methyl-furan-2-yl)-4-oxo-but-2-...)
Show SMILES Cc1ccc(o1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C9H8O5/c1-5-2-3-8(14-5)6(10)4-7(11)9(12)13/h2-3H,4H2,1H3,(H,12,13)
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n/an/a 5.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174456
PNG
((Z)-4-[5-(4-Fluoro-benzyl)-thiophen-2-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccc(F)cc2)s1
Show InChI InChI=1S/C15H11FO4S/c16-10-3-1-9(2-4-10)7-11-5-6-14(21-11)12(17)8-13(18)15(19)20/h1-6H,7-8H2,(H,19,20)
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n/an/a 6.50E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50095502
PNG
(4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1
Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)14-7-6-11(20-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
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n/an/a 6.80E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174488
PNG
((Z)-4-[5-(3-Fluoro-benzyl)-thiophen-2-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2cccc(F)c2)s1
Show InChI InChI=1S/C15H11FO4S/c16-10-3-1-2-9(6-10)7-11-4-5-14(21-11)12(17)8-13(18)15(19)20/h1-6H,7-8H2,(H,19,20)
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PubMed
n/an/a 7.40E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174501
PNG
((Z)-4-[2-(3-Fluoro-benzyl)-thiophen-3-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Cc1cccc(F)c1
Show InChI InChI=1S/C15H11FO4S/c16-10-3-1-2-9(6-10)7-14-11(4-5-21-14)12(17)8-13(18)15(19)20/h1-6H,7-8H2,(H,19,20)
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n/an/a 8.00E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174463
PNG
((Z)-4-[1-(Butane-1-sulfonyl)-3-(4-chloro-benzyl)-p...)
Show SMILES CCCCS(=O)(=O)N1CCCC(Cc2ccc(Cl)cc2)(C1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C20H26ClNO6S/c1-2-3-11-29(27,28)22-10-4-9-20(14-22,18(24)12-17(23)19(25)26)13-15-5-7-16(21)8-6-15/h5-8H,2-4,9-14H2,1H3,(H,25,26)
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n/an/a 8.14E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174474
PNG
((Z)-4-[5-(3-Chloro-benzyl)-thiophen-2-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C15H11ClO4S/c16-10-3-1-2-9(6-10)7-11-4-5-14(21-11)12(17)8-13(18)15(19)20/h1-6H,7-8H2,(H,19,20)
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n/an/a 8.20E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174486
PNG
((Z)-2-Hydroxy-4-oxo-4-(3-pyrrolidin-1-yl-phenyl)-b...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)N1CCCC1
Show InChI InChI=1S/C14H15NO4/c16-12(9-13(17)14(18)19)10-4-3-5-11(8-10)15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,18,19)
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n/an/a 8.40E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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PubMed
n/an/a 9.30E+4n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50174489
PNG
((Z)-2-Hydroxy-4-(2-methyl-5-phenyl-thiophen-3-yl)-...)
Show SMILES Cc1sc(cc1C(=O)CC(=O)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C15H12O4S/c1-9-11(12(16)8-13(17)15(18)19)7-14(20-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,19)
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n/an/a 1.67E+5n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%