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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 586.7
BDBM50210067

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))
BDBM50210067
PNG
(CHEMBL3884151)
Show SMILES CCCCCC(O)CC(=O)CCc1cc(OC)c(O)c(c1)-c1cc(CCC(=O)CC(O)CCCCC)cc(OC)c1O
Show InChI InChI=1S/C34H50O8/c1-5-7-9-11-25(35)21-27(37)15-13-23-17-29(33(39)31(19-23)41-3)30-18-24(20-32(42-4)34(30)40)14-16-28(38)22-26(36)12-10-8-6-2/h17-20,25-26,35-36,39-40H,5-16,21-22H2,1-4H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.78E+4n/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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50210067
PNG
(CHEMBL3884151)
Show SMILES CCCCCC(O)CC(=O)CCc1cc(OC)c(O)c(c1)-c1cc(CCC(=O)CC(O)CCCCC)cc(OC)c1O
Show InChI InChI=1S/C34H50O8/c1-5-7-9-11-25(35)21-27(37)15-13-23-17-29(33(39)31(19-23)41-3)30-18-24(20-32(42-4)34(30)40)14-16-28(38)22-26(36)12-10-8-6-2/h17-20,25-26,35-36,39-40H,5-16,21-22H2,1-4H3
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>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