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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukotriene A-4 hydrolase' and Ligand = 'BDBM50116550'   
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))
BDBM50116550
PNG
(5-[2-(4-Benzyl-phenoxy)-ethylamino]-pentanoic acid...)
Show SMILES CCOC(=O)CCCCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)10-6-7-15-23-16-17-26-21-13-11-20(12-14-21)18-19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,2,6-7,10,15-18H2,1H3
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PC cid
PC sid
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human whole blood LTB-4 production (Leukotriene B-4).


J Med Chem 45: 3482-90 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116550
PNG
(5-[2-(4-Benzyl-phenoxy)-ethylamino]-pentanoic acid...)
Show SMILES CCOC(=O)CCCCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)10-6-7-15-23-16-17-26-21-13-11-20(12-14-21)18-19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,2,6-7,10,15-18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase (LTA-4).


J Med Chem 45: 3482-90 (2002)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair