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BDBM50137862 (Z)-4-[3-(5-Bromo-2-cyano-benzyloxy)-phenyl]-2-hydroxy-4-oxo-but-2-enoic acid::CHEMBL362185

SMILES: OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Br)ccc2C#N)c1

InChI Key: InChIKey=NSWHZSKSOBTQQQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50137862   
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)
BDBM50137862
PNG
((Z)-4-[3-(5-Bromo-2-cyano-benzyloxy)-phenyl]-2-hyd...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Br)ccc2C#N)c1
Show InChI InChI=1S/C18H12BrNO5/c19-14-5-4-12(9-20)13(6-14)10-25-15-3-1-2-11(7-15)16(21)8-17(22)18(23)24/h1-7H,8,10H2,(H,23,24)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/a7.5n/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137862
PNG
((Z)-4-[3-(5-Bromo-2-cyano-benzyloxy)-phenyl]-2-hyd...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Br)ccc2C#N)c1
Show InChI InChI=1S/C18H12BrNO5/c19-14-5-4-12(9-20)13(6-14)10-25-15-3-1-2-11(7-15)16(21)8-17(22)18(23)24/h1-7H,8,10H2,(H,23,24)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair