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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 256.2
BDBM50508975

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

Found 1 hit 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)
BDBM50508975
PNG
(CHEMBL4457315)
Show SMILES Oc1cc2cc(ccc2oc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-12-4-1-9(2-5-12)10-3-6-14-11(7-10)8-13(17)15(18)19-14/h1-8,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair