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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 403.8
BDBM50317483

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))
BDBM50317483
PNG
((R)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)piper...)
Show SMILES OC(=O)CCCN1CCCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C22H26ClNO4/c23-17-6-8-20(9-7-17)28-21-12-10-19(11-13-21)27-16-18-4-1-2-14-24(18)15-3-5-22(25)26/h6-13,18H,1-5,14-16H2,(H,25,26)/t18-/m1/s1
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA


Bioorg Med Chem Lett 20: 2851-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.047
BindingDB Entry DOI: 10.7270/Q2CC10VD
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50317483
PNG
((R)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)piper...)
Show SMILES OC(=O)CCCN1CCCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C22H26ClNO4/c23-17-6-8-20(9-7-17)28-21-12-10-19(11-13-21)27-16-18-4-1-2-14-24(18)15-3-5-22(25)26/h6-13,18H,1-5,14-16H2,(H,25,26)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS


Bioorg Med Chem Lett 20: 2851-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.047
BindingDB Entry DOI: 10.7270/Q2CC10VD
More data for this
Ligand-Target Pair