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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.5
BDBM50251706

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))
BDBM50251706
PNG
(4-((3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pyrro...)
Show SMILES OC(=O)c1ccc(CN2CCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C27H25N3O4/c31-27(32)21-3-1-19(2-4-21)17-30-15-13-23(18-30)29-22-7-11-25(12-8-22)34-24-9-5-20(6-10-24)26-28-14-16-33-26/h1-12,14,16,23,29H,13,15,17-18H2,(H,31,32)
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PC cid
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Article
PubMed
n/an/a 7n/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))
BDBM50251706
PNG
(4-((3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pyrro...)
Show SMILES OC(=O)c1ccc(CN2CCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C27H25N3O4/c31-27(32)21-3-1-19(2-4-21)17-30-15-13-23(18-30)29-22-7-11-25(12-8-22)34-24-9-5-20(6-10-24)26-28-14-16-33-26/h1-12,14,16,23,29H,13,15,17-18H2,(H,31,32)
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 60n/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