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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.3
BDBM50508955

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)
BDBM50508955
PNG
(CHEMBL4474376)
Show SMILES COCCN1C[C@@H](Cc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair