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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 408.5
BDBM50575492
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))
BDBM50575492
(CHEMBL4784496)
Show SMILES
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50575492
(CHEMBL4784496)
Show SMILES
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
18
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50575492
(CHEMBL4784496)
Show SMILES
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
48
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair