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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 316.3
BDBM50385555
Wt: 316.3
BDBM50385559

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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)
BDBM50385559
PNG
(CHEMBL2040636)
Show SMILES COCOn1c(=O)c(=CC(C)C)[nH]c(=Cc2ccccc2)c1=O |w:14.14,8.8|
Show InChI InChI=1S/C17H20N2O4/c1-12(2)9-14-16(20)19(23-11-22-3)17(21)15(18-14)10-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3
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
Polymerase acidic protein


(Hepatitis C virus)
BDBM50385555
PNG
(CHEMBL2040631)
Show SMILES COCOn1c(=O)c(=CC(C)C)[nH]c(=Cc2ccccc2)c1=O |w:8.8,14.14|
Show InChI InChI=1S/C17H20N2O4/c1-12(2)9-14-16(20)19(23-11-22-3)17(21)15(18-14)10-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3
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