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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.5
BDBM50210064

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))
BDBM50210064
PNG
(CHEMBL3884665)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])-[#6]-[#6](=O)-[#6]-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1
Show InChI InChI=1S/C22H34O4/c1-5-6-7-8-19(23)16-20(24)11-9-18-10-12-21(22(15-18)25-4)26-14-13-17(2)3/h10,12-13,15,19,23H,5-9,11,14,16H2,1-4H3
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.01E+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))
BDBM50210064
PNG
(CHEMBL3884665)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])-[#6]-[#6](=O)-[#6]-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1
Show InChI InChI=1S/C22H34O4/c1-5-6-7-8-19(23)16-20(24)11-9-18-10-12-21(22(15-18)25-4)26-14-13-17(2)3/h10,12-13,15,19,23H,5-9,11,14,16H2,1-4H3
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 7.25E+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