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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50017486   
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)
BDBM50157734
PNG
(2-(5-cyano-8-methyl-1-propyl-1,3,4,9-tetrahydropyr...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1[nH]c1c(C)ccc(C#N)c21
Show InChI InChI=1S/C18H20N2O3/c1-3-7-18(9-14(21)22)17-13(6-8-23-18)15-12(10-19)5-4-11(2)16(15)20-17/h4-5,20H,3,6-9H2,1-2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182775
PNG
(3-allyl-5,8-dichloro-1,2,3,4-tetrahydrocyclopenta[...)
Show SMILES OC(=O)C1(CC=C)CCc2c1[nH]c1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C15H13Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h2-4,18H,1,5-7H2,(H,19,20)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182777
PNG
(3-butyl-8-cyano-7-fluoro-5-methyl-1,2,3,4-tetrahyd...)
Show SMILES CCCCC1(CCc2c1[nH]c1c(C)cc(F)c(C#N)c21)C(O)=O
Show InChI InChI=1S/C18H19FN2O2/c1-3-4-6-18(17(22)23)7-5-11-14-12(9-20)13(19)8-10(2)15(14)21-16(11)18/h8,21H,3-7H2,1-2H3,(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182768
PNG
(8-cyano-7-fluoro-5-methyl-3-propyl-1,2,3,4-tetrahy...)
Show SMILES CCCC1(CCc2c1[nH]c1c(C)cc(F)c(C#N)c21)C(O)=O
Show InChI InChI=1S/C17H17FN2O2/c1-3-5-17(16(21)22)6-4-10-13-11(8-19)12(18)7-9(2)14(13)20-15(10)17/h7,20H,3-6H2,1-2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem

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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182788
PNG
(3-butyl-5,8-dichloro-1,2,3,4-tetrahydrocyclopenta[...)
Show SMILES CCCCC1(CCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(O)=O
Show InChI InChI=1S/C16H17Cl2NO2/c1-2-3-7-16(15(20)21)8-6-9-12-10(17)4-5-11(18)13(12)19-14(9)16/h4-5,19H,2-3,6-8H2,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182786
PNG
(2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydro-1H...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(F)ccc(C#N)c21
Show InChI InChI=1S/C18H19FN2O2/c1-2-7-18(9-14(22)23)8-3-4-12-15-11(10-20)5-6-13(19)16(15)21-17(12)18/h5-6,21H,2-4,7-9H2,1H3,(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182765
PNG
(2-(5-cyano-8-methyl-1-propyl-2,3,4,9-tetrahydro-1H...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(C)ccc(C#N)c21
Show InChI InChI=1S/C19H22N2O2/c1-3-8-19(10-15(22)23)9-4-5-14-16-13(11-20)7-6-12(2)17(16)21-18(14)19/h6-7,21H,3-5,8-10H2,1-2H3,(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182769
PNG
(2-(5,8-dicyano-1-propyl-2,3,4,9-tetrahydro-1H-carb...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(ccc(C#N)c21)C#N
Show InChI InChI=1S/C19H19N3O2/c1-2-7-19(9-15(23)24)8-3-4-14-16-12(10-20)5-6-13(11-21)17(16)22-18(14)19/h5-6,22H,2-4,7-9H2,1H3,(H,23,24)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem

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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182785
PNG
(5,8-dichloro-1-propyl-2,3,4,9-tetrahydro-1H-carbaz...)
Show SMILES CCCC1(CCCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(O)=O
Show InChI InChI=1S/C16H17Cl2NO2/c1-2-7-16(15(20)21)8-3-4-9-12-10(17)5-6-11(18)13(12)19-14(9)16/h5-6,19H,2-4,7-8H2,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182789
PNG
(3-butyl-8-cyano-5-methyl-1,2,3,4-tetrahydrocyclope...)
Show SMILES CCCCC1(CCc2c1[nH]c1c(C)ccc(C#N)c21)C(O)=O
Show InChI InChI=1S/C18H20N2O2/c1-3-4-8-18(17(21)22)9-7-13-14-12(10-19)6-5-11(2)15(14)20-16(13)18/h5-6,20H,3-4,7-9H2,1-2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182783
PNG
(8-cyano-5-methyl-3-propyl-1,2,3,4-tetrahydrocyclop...)
Show SMILES CCCC1(CCc2c1[nH]c1c(C)ccc(C#N)c21)C(O)=O
Show InChI InChI=1S/C17H18N2O2/c1-3-7-17(16(20)21)8-6-12-13-11(9-18)5-4-10(2)14(13)19-15(12)17/h4-5,19H,3,6-8H2,1-2H3,(H,20,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182774
PNG
(3-butyl-8-cyano-5-fluoro-1,2,3,4-tetrahydrocyclope...)
Show SMILES CCCCC1(CCc2c1[nH]c1c(F)ccc(C#N)c21)C(O)=O
Show InChI InChI=1S/C17H17FN2O2/c1-2-3-7-17(16(21)22)8-6-11-13-10(9-19)4-5-12(18)14(13)20-15(11)17/h4-5,20H,2-3,6-8H2,1H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182776
PNG
(8-chloro-1-propyl-5-(trifluoromethyl)-2,3,4,9-tetr...)
Show SMILES CCCC1(CCCc2c1[nH]c1c(Cl)ccc(c21)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H17ClF3NO2/c1-2-7-16(15(23)24)8-3-4-9-12-10(17(19,20)21)5-6-11(18)13(12)22-14(9)16/h5-6,22H,2-4,7-8H2,1H3,(H,23,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182773
PNG
(3-allyl-8-cyano-7-fluoro-5-methyl-1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(F)c(C#N)c2c3CCC(CC=C)(C(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H15FN2O2/c1-3-5-17(16(21)22)6-4-10-13-11(8-19)12(18)7-9(2)14(13)20-15(10)17/h3,7,20H,1,4-6H2,2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182778
PNG
(8-cyano-5-fluoro-3-propyl-1,2,3,4-tetrahydrocyclop...)
Show SMILES CCCC1(CCc2c1[nH]c1c(F)ccc(C#N)c21)C(O)=O
Show InChI InChI=1S/C16H15FN2O2/c1-2-6-16(15(20)21)7-5-10-12-9(8-18)3-4-11(17)13(12)19-14(10)16/h3-4,19H,2,5-7H2,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182781
PNG
(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydro-1H-ca...)
Show SMILES CCCC1(CCCc2c1[nH]c1c(F)ccc(C#N)c21)C(O)=O
Show InChI InChI=1S/C17H17FN2O2/c1-2-7-17(16(21)22)8-3-4-11-13-10(9-19)5-6-12(18)14(13)20-15(11)17/h5-6,20H,2-4,7-8H2,1H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182780
PNG
(3-allyl-8-cyano-5-methyl-1,2,3,4-tetrahydrocyclope...)
Show SMILES Cc1ccc(C#N)c2c3CCC(CC=C)(C(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H16N2O2/c1-3-7-17(16(20)21)8-6-12-13-11(9-18)5-4-10(2)14(13)19-15(12)17/h3-5,19H,1,6-8H2,2H3,(H,20,21)
PDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182767
PNG
(3-allyl-8-cyano-5-fluoro-1,2,3,4-tetrahydrocyclope...)
Show SMILES OC(=O)C1(CC=C)CCc2c1[nH]c1c(F)ccc(C#N)c21
Show InChI InChI=1S/C16H13FN2O2/c1-2-6-16(15(20)21)7-5-10-12-9(8-18)3-4-11(17)13(12)19-14(10)16/h2-4,19H,1,5-7H2,(H,20,21)
PDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182770
PNG
(5-cyano-8-methyl-1-propyl-2,3,4,9-tetrahydro-1H-ca...)
Show SMILES CCCC1(CCCc2c1[nH]c1c(C)ccc(C#N)c21)C(O)=O
Show InChI InChI=1S/C18H20N2O2/c1-3-8-18(17(21)22)9-4-5-13-14-12(10-19)7-6-11(2)15(14)20-16(13)18/h6-7,20H,3-5,8-9H2,1-2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182771
PNG
(5,8-dichloro-3-propyl-1,2,3,4-tetrahydrocyclopenta...)
Show SMILES CCCC1(CCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h3-4,18H,2,5-7H2,1H3,(H,19,20)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antiviral activity against Hepatitis C virus replicon in Huh7 cells


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182771
PNG
(5,8-dichloro-3-propyl-1,2,3,4-tetrahydrocyclopenta...)
Show SMILES CCCC1(CCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h3-4,18H,2,5-7H2,1H3,(H,19,20)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antiviral activity against Hepatitis C virus replicon in Huh7 cells


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182779
PNG
(2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydro-1H-car...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1cc(F)cc(F)c21
Show InChI InChI=1S/C17H19F2NO2/c1-2-5-17(9-14(21)22)6-3-4-11-15-12(19)7-10(18)8-13(15)20-16(11)17/h7-8,20H,2-6,9H2,1H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182790
PNG
(2-(6-chloro-1-propyl-2,3,4,9-tetrahydro-1H-carbazo...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H20ClNO2/c1-2-7-17(10-15(20)21)8-3-4-12-13-9-11(18)5-6-14(13)19-16(12)17/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182772
PNG
(2-(8-carbamoyl-5-cyano-1-propyl-2,3,4,9-tetrahydro...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(ccc(C#N)c21)C(N)=O
Show InChI InChI=1S/C19H21N3O3/c1-2-7-19(9-14(23)24)8-3-4-12-15-11(10-20)5-6-13(18(21)25)16(15)22-17(12)19/h5-6,22H,2-4,7-9H2,1H3,(H2,21,25)(H,23,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182784
PNG
(2-(1-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ac...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C17H21NO2/c1-2-9-17(11-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18-16(13)17/h3-4,6,8,18H,2,5,7,9-11H2,1H3,(H,19,20)
PDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

Patents


Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182787
PNG
(2-(5,8-difluoro-1-propyl-2,3,4,9-tetrahydro-1H-car...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(F)ccc(F)c21
Show InChI InChI=1S/C17H19F2NO2/c1-2-7-17(9-13(21)22)8-3-4-10-14-11(18)5-6-12(19)15(14)20-16(10)17/h5-6,20H,2-4,7-9H2,1H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182782
PNG
(2-(6-bromo-8-chloro-1-propyl-2,3,4,9-tetrahydro-1H...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(Cl)cc(Br)cc21
Show InChI InChI=1S/C17H19BrClNO2/c1-2-5-17(9-14(21)22)6-3-4-11-12-7-10(18)8-13(19)15(12)20-16(11)17/h7-8,20H,2-6,9H2,1H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50182766
PNG
(2-(7,8-difluoro-1-propyl-2,3,4,9-tetrahydro-1H-car...)
Show SMILES CCCC1(CC(O)=O)CCCc2c1[nH]c1c(F)c(F)ccc21
Show InChI InChI=1S/C17H19F2NO2/c1-2-7-17(9-13(21)22)8-3-4-11-10-5-6-12(18)14(19)15(10)20-16(11)17/h5-6,20H,2-4,7-9H2,1H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK NS5B RNA polymerase


Bioorg Med Chem Lett 16: 2532-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.105
BindingDB Entry DOI: 10.7270/Q2BG2NKS
More data for this
Ligand-Target Pair