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BDBM50181933 2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylic acid::CHEMBL205598

SMILES: OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=SOPBXOVESODUSC-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50181933   
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)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)

More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)

More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
UniProtKB/TrEMBL

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Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA replication in Huh5-2 cells after 48 hrs


Bioorg Med Chem Lett 16: 1859-63 (2006)

More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
PDB

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase alpha


Bioorg Med Chem Lett 16: 1859-63 (2006)

More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)

More data for this
Ligand-Target Pair