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Target
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IC50
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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: 333.3
BDBM50247034
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
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50247034
(4-(4-Nitro-benzyl)-1-(2-oxo-2-phenyl-ethyl)-pyridi...)
Show SMILES
[O-][N+](=O)c1ccc(Cc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI
InChI=1S/C20H17N2O3/c23-20(18-4-2-1-3-5-18)15-21-12-10-17(11-13-21)14-16-6-8-19(9-7-16)22(24)25/h1-13H,14-15H2/q+1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.34E+4
n/a
n/a
n/a
n/a
n/a
n/a
Peking University
Curated by
ChEMBL
Assay Description
Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase assessed as para-nitroanilide release by spectrophotometry
J Med Chem
51:
7882
-
8
(2008)
Article DOI:
10.1021/jm8010096
BindingDB Entry DOI:
10.7270/Q2VH5NQQ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated
(Homo sapiens (Human))
BDBM50247034
(4-(4-Nitro-benzyl)-1-(2-oxo-2-phenyl-ethyl)-pyridi...)
Show SMILES
[O-][N+](=O)c1ccc(Cc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI
InChI=1S/C20H17N2O3/c23-20(18-4-2-1-3-5-18)15-21-12-10-17(11-13-21)14-16-6-8-19(9-7-16)22(24)25/h1-13H,14-15H2/q+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.37E+4
n/a
n/a
n/a
n/a
n/a
n/a
Peking University
Curated by
ChEMBL
Assay Description
Inhibition of human nonpancreatic secretory phospholipase A2
J Med Chem
51:
7882
-
8
(2008)
Article DOI:
10.1021/jm8010096
BindingDB Entry DOI:
10.7270/Q2VH5NQQ
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50247034
(4-(4-Nitro-benzyl)-1-(2-oxo-2-phenyl-ethyl)-pyridi...)
Show SMILES
[O-][N+](=O)c1ccc(Cc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI
InChI=1S/C20H17N2O3/c23-20(18-4-2-1-3-5-18)15-21-12-10-17(11-13-21)14-16-6-8-19(9-7-16)22(24)25/h1-13H,14-15H2/q+1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.86E+5
n/a
n/a
n/a
n/a
n/a
n/a
Peking University
Curated by
ChEMBL
Assay Description
Inhibition of epoxide hydrolase activity of human leukotriene A4 hydrolase assessed as LTB4 level by ELISA
J Med Chem
51:
7882
-
8
(2008)
Article DOI:
10.1021/jm8010096
BindingDB Entry DOI:
10.7270/Q2VH5NQQ
More data for this
Ligand-Target Pair