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6 similar compounds to monomer 50137473

Compile data set for download or QSAR
Wt: 321.3
BDBM50137472
Wt: 320.3
BDBM50137479
Purchase
Wt: 326.4
BDBM50137490
Wt: 362.4
BDBM50137494
Wt: 336.3
BDBM50162110
Wt: 350.4
BDBM50187148

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50137472,50137479,50137490,50137494,50162110,50187148   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50137472
PNG
(1-Cyclohexyl-2-pyridin-3-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)
UniProtKB/TrEMBL

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n/an/a 2.80E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against NS5B polymerase of hepatitis C virus


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137490
PNG
(1-Cyclohexyl-2-thiophen-3-yl-1H-benzoimidazole-5-c...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C18H18N2O2S/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 6.33E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against NS5B polymerase of hepatitis C virus


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137494
PNG
(1-Cyclohexyl-2-(2,4,6-trimethyl-phenyl)-1H-benzoim...)
Show SMILES Cc1cc(C)c(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C23H26N2O2/c1-14-11-15(2)21(16(3)12-14)22-24-19-13-17(23(26)27)9-10-20(19)25(22)18-7-5-4-6-8-18/h9-13,18H,4-8H2,1-3H3,(H,26,27)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against NS5B polymerase of hepatitis C virus


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137479
PNG
(1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against NS5B polymerase of hepatitis C virus


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162110
PNG
(1-Cyclohexyl-2-(4-hydroxy-phenyl)-1H-benzoimidazol...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O3/c23-16-9-6-13(7-10-16)19-21-17-12-14(20(24)25)8-11-18(17)22(19)15-4-2-1-3-5-15/h6-12,15,23H,1-5H2,(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50187148
PNG
(1-cyclohexyl-2-(4-methoxyphenyl)-1H-benzo[d]imidaz...)
Show SMILES COc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H22N2O3/c1-26-17-10-7-14(8-11-17)20-22-18-13-15(21(24)25)9-12-19(18)23(20)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,25)
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n/an/a 1.12E+4n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of HCV BK NS5B deltaC55 RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 4026-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.012
BindingDB Entry DOI: 10.7270/Q2416WP6
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137490
PNG
(1-Cyclohexyl-2-thiophen-3-yl-1H-benzoimidazole-5-c...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C18H18N2O2S/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>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Poliovirus type 1 polyprotein


(Poliovirus type 1 (strain Mahoney))
BDBM50137472
PNG
(1-Cyclohexyl-2-pyridin-3-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)
PDB
MMDB

KEGG

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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
Inhibitory activity against polio virus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Poliovirus type 1 polyprotein


(Poliovirus type 1 (strain Mahoney))
BDBM50137479
PNG
(1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against polio virus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Poliovirus type 1 polyprotein


(Poliovirus type 1 (strain Mahoney))
BDBM50137490
PNG
(1-Cyclohexyl-2-thiophen-3-yl-1H-benzoimidazole-5-c...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C18H18N2O2S/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against polio virus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137479
PNG
(1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
UniProtKB/TrEMBL

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n/an/a 3.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137479
PNG
(1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
PDB

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CHEMBL
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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
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
RNA polymerase subunit beta (β-RNAP)


(Escherichia coli)
BDBM50137472
PNG
(1-Cyclohexyl-2-pyridin-3-yl-1H-benzoimidazole-5-ca...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)
PDB

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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against calf thymus RNA polymerase


Bioorg Med Chem Lett 14: 119-24 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.023
BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137479
PNG
(1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)
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n/an/a 6.50E+3n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of HCV BK NS5B deltaC55 RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 4026-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.012
BindingDB Entry DOI: 10.7270/Q2416WP6
More data for this
Ligand-Target Pair