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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 279.2
BDBM50285633

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

Found 3 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))
BDBM50285633
PNG
((R)-3-Benzyl-N-((S)-1-carboxy-ethyl)-succinamic ac...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17NO5/c1-9(14(19)20)15-13(18)11(8-12(16)17)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Gyeongsang National University (GNU)

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase


Eur J Med Chem 46: 1593-603 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.007
BindingDB Entry DOI: 10.7270/Q2K64JDG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50285633
PNG
((R)-3-Benzyl-N-((S)-1-carboxy-ethyl)-succinamic ac...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17NO5/c1-9(14(19)20)15-13(18)11(8-12(16)17)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
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Article
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Leukotriene A4 hydrolase


Bioorg Med Chem Lett 5: 2517-2522 (1995)


Article DOI: 10.1016/0960-894X(95)00441-U
BindingDB Entry DOI: 10.7270/Q2959J1M
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50285633
PNG
((R)-3-Benzyl-N-((S)-1-carboxy-ethyl)-succinamic ac...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17NO5/c1-9(14(19)20)15-13(18)11(8-12(16)17)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
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MMDB

KEGG

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UniChem

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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-converting enzyme(ACE)


Bioorg Med Chem Lett 5: 2517-2522 (1995)


Article DOI: 10.1016/0960-894X(95)00441-U
BindingDB Entry DOI: 10.7270/Q2959J1M
More data for this
Ligand-Target Pair