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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.4
BDBM50385549

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)
BDBM50385549
PNG
(CHEMBL2040623)
Show SMILES COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)\C(=C/c2ccc(F)cc2)C1=O |r|
Show InChI InChI=1S/C24H27FN2O4/c1-17(2)13-21-23(28)27(31-16-30-3)24(29)22(14-18-9-11-20(25)12-10-18)26(21)15-19-7-5-4-6-8-19/h4-12,14,17,21H,13,15-16H2,1-3H3/b22-14-/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)


BindingDB Entry DOI: 10.7270/Q298882D
More data for this
Ligand-Target Pair