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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.7
BDBM50122441

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


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122441
PNG
(CHEMBL3622455)
Show SMILES OC(=O)CCc1nnc(SCc2ccc(Cl)cc2)nc1O
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-3-1-8(2-4-9)7-21-13-15-12(20)10(16-17-13)5-6-11(18)19/h1-4H,5-7H2,(H,18,19)(H,15,17,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair