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PDB code 3FTX

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 500n/an/an/an/a7.530



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant leukotriene A4 hydrolase


Bioorg Med Chem Lett 18: 4529-32 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Leukotriene A4 hydrolase from human leukocytes


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H epoxide hydrolase activity using LTA4 as substrate incubated for 15 mins prior to substrate addition measured after 10 mins...


Eur J Med Chem 59: 160-7 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50046325
PNG
((S)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyryla...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes


J Med Chem 36: 211-20 (1993)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50085531
PNG
(3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
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n/an/a 1.45E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50085531
PNG
(3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
PDB
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n/an/a 2.47E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output