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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3
BDBM50317491
Wt: 281.3
BDBM50317493

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))
BDBM50317493
PNG
((R)-2-((4-benzylphenoxy)methyl)piperidine | CHEMBL...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCCN1 |r|
Show InChI InChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2/t18-/m1/s1
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Article
PubMed
n/an/a 60n/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))
BDBM50317493
PNG
((R)-2-((4-benzylphenoxy)methyl)piperidine | CHEMBL...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCCN1 |r|
Show InChI InChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2/t18-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 94n/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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50317491
PNG
((R/S)-2-((4-benzylphenoxy)methyl)piperidine | CHEM...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)C1CCCCN1
Show InChI InChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2
PDB
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PC cid
PC sid
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Article
PubMed
n/an/a 105n/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))
BDBM50317491
PNG
((R/S)-2-((4-benzylphenoxy)methyl)piperidine | CHEM...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)C1CCCCN1
Show InChI InChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 134n/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