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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.4
BDBM50507030

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)
BDBM50507030
PNG
(CHEMBL4469214)
Show SMILES C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1cccnc1)c1cccnc1 |c:3,t:13|
Show InChI InChI=1S/C22H20N6/c1-3-19(15-23-9-1)27-13-11-25-21(27)17-5-7-18(8-6-17)22-26-12-14-28(22)20-4-2-10-24-16-20/h1-10,15-16H,11-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...


Eur J Med Chem 161: 526-532 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.063
BindingDB Entry DOI: 10.7270/Q2ZW1Q61
More data for this
Ligand-Target Pair