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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 248.2
BDBM50385524

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)
BDBM50385524
PNG
(CHEMBL2040559)
Show SMILES CC(C)(C)OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C14H16O4/c1-14(2,3)18-13(17)12(16)9-11(15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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