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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 286.3
BDBM50536143

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)
BDBM50536143
PNG
(CHEMBL4535069)
Show SMILES Cc1cc(=O)c(O)cn1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C16H18N2O3/c1-12-10-15(19)16(20)11-18(12)14-4-2-13(3-5-14)17-6-8-21-9-7-17/h2-5,10-11,20H,6-9H2,1H3
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)
BDBM50536143
PNG
(CHEMBL4535069)
Show SMILES Cc1cc(=O)c(O)cn1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C16H18N2O3/c1-12-10-15(19)16(20)11-18(12)14-4-2-13(3-5-14)17-6-8-21-9-7-17/h2-5,10-11,20H,6-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+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