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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polymerase acidic protein' and Ligand = 'BDBM50536165'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polymerase acidic protein


(Hepatitis C virus)
BDBM50536165
PNG
(CHEMBL4550847)
Show SMILES CCOC(=O)c1c(C)n(cc(O)c1=O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H19NO5/c1-3-26-21(25)19-14(2)22(13-18(23)20(19)24)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-13,23H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
BindingDB Entry DOI: 10.7270/Q2W95DPM
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50536165
PNG
(CHEMBL4550847)
Show SMILES CCOC(=O)c1c(C)n(cc(O)c1=O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H19NO5/c1-3-26-21(25)19-14(2)22(13-18(23)20(19)24)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-13,23H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
BindingDB Entry DOI: 10.7270/Q2W95DPM
More data for this
Ligand-Target Pair