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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.9
BDBM50251775

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))
BDBM50251775
PNG
(CHEMBL480347 | endo-4-((3-(4-(4-chlorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27ClN2O3/c28-20-5-11-25(12-6-20)33-26-13-7-21(8-14-26)29-22-15-23-9-10-24(16-22)30(23)17-18-1-3-19(4-2-18)27(31)32/h1-8,11-14,22-24,29H,9-10,15-17H2,(H,31,32)/t22-,23+,24-
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PC cid
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251775
PNG
(CHEMBL480347 | endo-4-((3-(4-(4-chlorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27ClN2O3/c28-20-5-11-25(12-6-20)33-26-13-7-21(8-14-26)29-22-15-23-9-10-24(16-22)30(23)17-18-1-3-19(4-2-18)27(31)32/h1-8,11-14,22-24,29H,9-10,15-17H2,(H,31,32)/t22-,23+,24-
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 310n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair