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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 206.1
BDBM50385526

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)
BDBM50385526
PNG
(CHEMBL2040560)
Show SMILES Cn1cc(C(O)=O)c(=O)c2NCC=Cc12 |c:12|
Show InChI InChI=1S/C10H10N2O3/c1-12-5-6(10(14)15)9(13)8-7(12)3-2-4-11-8/h2-3,5,11H,4H2,1H3,(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