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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.4
BDBM50210053

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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50210053
PNG
(CHEMBL3884753)
Show SMILES CCCCC\C=C\C(=O)CCc1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1S/C19H26O4/c1-4-5-6-7-8-9-17(21)12-10-16-11-13-18(23-15(2)20)19(14-16)22-3/h8-9,11,13-14H,4-7,10,12H2,1-3H3/b9-8+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.31E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LTA4H aminopeptidase activity expressed in Escherichia coli using L-alanine-4-nitro-anilide hyd...


Bioorg Med Chem 25: 1277-1285 (2017)


Article DOI: 10.1016/j.bmc.2016.12.048
BindingDB Entry DOI: 10.7270/Q2SJ1NMK
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50210053
PNG
(CHEMBL3884753)
Show SMILES CCCCC\C=C\C(=O)CCc1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1S/C19H26O4/c1-4-5-6-7-8-9-17(21)12-10-16-11-13-18(23-15(2)20)19(14-16)22-3/h8-9,11,13-14H,4-7,10,12H2,1-3H3/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.31E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LTA4H epoxide hydrolase activity expressed in Escherichia coli assessed as reduction in LTB4 pr...


Bioorg Med Chem 25: 1277-1285 (2017)


Article DOI: 10.1016/j.bmc.2016.12.048
BindingDB Entry DOI: 10.7270/Q2SJ1NMK
More data for this
Ligand-Target Pair