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BDBM50191536 2-{4-[5-(4-chlorophenyl)-2-methyloxazol-4-ylmethoxy]phenyl}-1-cyclohexyl-1H-benzimidazole-5-carboxylic acid::CHEMBL208843

SMILES: Cc1nc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(o1)-c1ccc(Cl)cc1

InChI Key: InChIKey=RLWCSFNCSWFWBW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50191536   
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)
BDBM50191536
PNG
(2-{4-[5-(4-chlorophenyl)-2-methyloxazol-4-ylmethox...)
Show SMILES Cc1nc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN3O4/c1-19-33-27(29(39-19)20-7-12-23(32)13-8-20)18-38-25-14-9-21(10-15-25)30-34-26-17-22(31(36)37)11-16-28(26)35(30)24-5-3-2-4-6-24/h7-17,24H,2-6,18H2,1H3,(H,36,37)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus genotype 1)
BDBM50191536
PNG
(2-{4-[5-(4-chlorophenyl)-2-methyloxazol-4-ylmethox...)
Show SMILES Cc1nc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN3O4/c1-19-33-27(29(39-19)20-7-12-23(32)13-8-20)18-38-25-14-9-21(10-15-25)30-34-26-17-22(31(36)37)11-16-28(26)35(30)24-5-3-2-4-6-24/h7-17,24H,2-6,18H2,1H3,(H,36,37)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 1.73E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Hepatitis C virus genotype 1 NS5B polymerases lacking C-terminal 47 amino acid residues expressed in Escherichia coli after 60 min


Citation and Details

Article DOI: 10.1007/s00044-012-0186-8
BindingDB Entry DOI: 10.7270/Q2NC6441
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus genotype 1)
BDBM50191536
PNG
(2-{4-[5-(4-chlorophenyl)-2-methyloxazol-4-ylmethox...)
Show SMILES Cc1nc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN3O4/c1-19-33-27(29(39-19)20-7-12-23(32)13-8-20)18-38-25-14-9-21(10-15-25)30-34-26-17-22(31(36)37)11-16-28(26)35(30)24-5-3-2-4-6-24/h7-17,24H,2-6,18H2,1H3,(H,36,37)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Hepatitis C virus genotype 1 NS5B polymerases lacking C-terminal 47 amino acid residues expressed in Escherichia coli after 60 min


Citation and Details

Article DOI: 10.1007/s00044-012-0186-8
BindingDB Entry DOI: 10.7270/Q2NC6441
More data for this
Ligand-Target Pair