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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.5
BDBM50385548

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)
BDBM50385548
PNG
(CHEMBL2040622)
Show SMILES COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)\C(=C/c2ccc(OC)cc2)C1=O |r|
Show InChI InChI=1S/C25H30N2O5/c1-18(2)14-22-24(28)27(32-17-30-3)25(29)23(15-19-10-12-21(31-4)13-11-19)26(22)16-20-8-6-5-7-9-20/h5-13,15,18,22H,14,16-17H2,1-4H3/b23-15-/t22-/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