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Target
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Kd
EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 112.0
BDBM50536112
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Polymerase acidic protein
(Hepatitis C virus)
BDBM50536112
(CHEMBL79857)
Show SMILES
Oc1coccc1=O
Show InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.25E+4
n/a
n/a
n/a
n/a
n/a
n/a
University of California San Diego
Curated by
ChEMBL
Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...
J Med Chem
59:
6444
-
54
(2016)
Article DOI:
10.1021/acs.jmedchem.6b00628
BindingDB Entry DOI:
10.7270/Q2W95DPM
More data for this
Ligand-Target Pair
Polymerase acidic protein
(Hepatitis C virus)
BDBM50536112
(CHEMBL79857)
Show SMILES
Oc1coccc1=O
Show InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.25E+4
n/a
n/a
n/a
n/a
n/a
n/a
University of California San Diego
Curated by
ChEMBL
Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...
J Med Chem
59:
6444
-
54
(2016)
Article DOI:
10.1021/acs.jmedchem.6b00628
BindingDB Entry DOI:
10.7270/Q2W95DPM
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human))
BDBM50536112
(CHEMBL79857)
Show SMILES
Oc1coccc1=O
Show InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.32E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00256
BindingDB Entry DOI:
10.7270/Q23X8BQF
More data for this
Ligand-Target Pair