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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.3
BDBM50122442
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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))
BDBM50122442
PNG
(CHEMBL3622456)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C14H18N4O3/c1-19-11-7-9-10(8-12(11)20-2)16-14(17-13(9)15)18-3-5-21-6-4-18/h7-8H,3-6H2,1-2H3,(H2,15,16,17)
PDB

UniProtKB/SwissProt

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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