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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 238.3
BDBM50210066

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))
BDBM50210066
PNG
(CHEMBL3884745)
Show SMILES [H][C@@]1([#6]-[#6]=[#6](-[#6])-[#6](-[#8])-[#6@H]1-[#8])[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:3|
Show InChI InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3/t11?,13-,14?,15+/m1/s1
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PC cid
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Similars

Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50210066
PNG
(CHEMBL3884745)
Show SMILES [H][C@@]1([#6]-[#6]=[#6](-[#6])-[#6](-[#8])-[#6@H]1-[#8])[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:3|
Show InChI InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3/t11?,13-,14?,15+/m1/s1
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>1.00E+5n/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