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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.5
BDBM50385539

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)
BDBM50385539
PNG
(CHEMBL2040611)
Show SMILES COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccc(OC)cc2)C1=O
Show InChI InChI=1S/C25H32N2O6/c1-17(2)14-21-24(29)27(33-16-31-3)25(30)22(26(21)15-18-8-6-5-7-9-18)23(28)19-10-12-20(32-4)13-11-19/h5-13,17,21-23,28H,14-16H2,1-4H3/t21-,22-,23+/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