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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 215.2
BDBM50536151
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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)
BDBM50536151
PNG
(CHEMBL4562425)
Show SMILES Cc1cc(=O)c(O)cn1Cc1ccccc1
Show InChI InChI=1S/C13H13NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+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)
BDBM50536151
PNG
(CHEMBL4562425)
Show SMILES Cc1cc(=O)c(O)cn1Cc1ccccc1
Show InChI InChI=1S/C13H13NO2/c1-10-7-12(15)13(16)9-14(10)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+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