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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 220.1
BDBM50385521

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)
BDBM50385521
PNG
(CHEMBL2040557)
Show SMILES OC(=O)C(=O)C1COc2ccccc2C1=O
Show InChI InChI=1S/C11H8O5/c12-9-6-3-1-2-4-8(6)16-5-7(9)10(13)11(14)15/h1-4,7H,5H2,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+5n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Plaque growth inhibition


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair