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Target
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 218.2
BDBM50436137
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
D-amino-acid oxidase
(Homo sapiens (Human))
BDBM50436137
(CHEMBL2397739)
Show SMILES
Oc1coc(COc2ccccc2)cc1=O
Show InChI
InChI=1S/C12H10O4/c13-11-6-10(16-8-12(11)14)7-15-9-4-2-1-3-5-9/h1-6,8,14H,7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
900
n/a
n/a
n/a
n/a
n/a
n/a
Johns Hopkins University
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...
Bioorg Med Chem Lett
23:
3910
-
3
(2013)
Article DOI:
10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI:
10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
Polymerase acidic protein
(Hepatitis C virus)
BDBM50436137
(CHEMBL2397739)
Show SMILES
Oc1coc(COc2ccccc2)cc1=O
Show InChI
InChI=1S/C12H10O4/c13-11-6-10(16-8-12(11)14)7-15-9-4-2-1-3-5-9/h1-6,8,14H,7H2
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
4.80E+3
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)
BDBM50436137
(CHEMBL2397739)
Show SMILES
Oc1coc(COc2ccccc2)cc1=O
Show InChI
InChI=1S/C12H10O4/c13-11-6-10(16-8-12(11)14)7-15-9-4-2-1-3-5-9/h1-6,8,14H,7H2
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
5.01E+3
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