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BDBM50137488 1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carboxylic acid::1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imidazole-5-carboxylic acid::1-cyclohexyl-2-furan-3-yl-1H-benzimidazole-5-carboxylic acid::CHEMBL175177

SMILES: OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1

InChI Key: InChIKey=JTLQUCGDQKGJMM-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50137488   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatitis C virus NS5B RNA-dependent RNA polymerase


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



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


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



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


Eur J Med Chem 164: 576-601 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.045
BindingDB Entry DOI: 10.7270/Q2RR224D
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137488
PNG
(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carb...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

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


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