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Compile Data Set for Download or QSAR

Found 1464 hits Enz. Inhib. hit(s) with Target = 'Leukotriene A4 hydrolase'   
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 A4 hydrolase


(Homo sapiens (Human))
BDBM50116538
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)
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3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against LTA 4 hydrolase in aminopeptidase assay


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
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against LTA 4 hydrolase in epoxide hydrolase assay


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
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50046316
PNG
(2-Amino-3-(4-benzyloxy-phenyl)-propane-1-thiol | C...)
Show SMILES N[C@H](CS)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H19NOS/c17-15(12-19)10-13-6-8-16(9-7-13)18-11-14-4-2-1-3-5-14/h1-9,15,19H,10-12,17H2/t15-/m0/s1
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18n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit amidase activity of LTA4 hydrolase (1.4 ug) purified from human leukocytes


J Med Chem 36: 211-20 (1993)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50046314
PNG
(3-Amino-4-(4-benzyloxy-phenyl)-2-oxo-butyric acid ...)
Show SMILES N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H23NO4/c25-22(23(26)24(27)29-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)28-16-19-7-3-1-4-8-19/h1-14,22H,15-17,25H2/t22-/m0/s1
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46n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit amidase activity of LTA4 hydrolase (1.4 ug) purified from human leukocytes


J Med Chem 36: 211-20 (1993)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441909
PNG
(CHEMBL2437292)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23)26(19)14-20(27)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,15,23H,10-14H2
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93n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197085
PNG
(CHEMBL3921982)
Show SMILES CN(C)CCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441915
PNG
(CHEMBL2437298)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN4OS/c1-19-6-8-20(9-7-19)15(22)10-21-14(11-23-16(21)18)12-2-4-13(17)5-3-12/h2-5,11,18H,6-10H2,1H3
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172n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(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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320n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197084
PNG
(CHEMBL3883608)
Show SMILES Nc1nc(cs1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
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360n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441914
PNG
(CHEMBL2437296)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C17H22N4OS/c1-13-3-5-14(6-4-13)15-12-23-17(18)21(15)11-16(22)20-9-7-19(2)8-10-20/h3-6,12,18H,7-11H2,1-2H3
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369n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441912
PNG
(CHEMBL2437295)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN4O2S/c1-12(23)20-6-8-21(9-7-20)16(24)10-22-15(11-25-17(22)19)13-2-4-14(18)5-3-13/h2-5,11,19H,6-10H2,1H3
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607n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441916
PNG
(CHEMBL2437300)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C16H20N4OS/c1-18-7-9-19(10-8-18)15(21)11-20-14(12-22-16(20)17)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3
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629n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441910
PNG
(CHEMBL2437293)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2
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643n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441918
PNG
(CHEMBL2437302)
Show SMILES Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)13-10-22-15(17)19(13)9-14(20)18-5-7-21-8-6-18/h1-4,10,17H,5-9H2
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1.06E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441911
PNG
(CHEMBL2437294)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
Show InChI InChI=1S/C18H22N4O2S/c1-13-3-5-15(6-4-13)16-12-25-18(19)22(16)11-17(24)21-9-7-20(8-10-21)14(2)23/h3-6,12,19H,7-11H2,1-2H3
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1.64E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441913
PNG
(CHEMBL2437297)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3
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2.59E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441917
PNG
(CHEMBL2437299)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17)19(14)10-15(20)18-6-8-21-9-7-18/h2-5,11,17H,6-10H2,1H3
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3.56E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441908
PNG
(CHEMBL2437291)
Show SMILES Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-17-7-9-18(10-8-17)20-16-28-22(23)26(20)15-21(27)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,16,23H,11-15H2,1H3
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PubMed
4.29E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23978
PNG
((3Z)-3-[(3-phenylpropoxy)imino]-1,2,3,4-tetrahydro...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCc1ccccc1
Show InChI InChI=1S/C19H22N2O/c20-18-13-16-10-4-5-11-17(16)14-19(18)21-22-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,18H,6,9,12-14,20H2/b21-19-
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23979
PNG
((3Z)-3-[(4-phenylbutoxy)imino]-1,2,3,4-tetrahydron...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O/c21-19-14-17-11-4-5-12-18(17)15-20(19)22-23-13-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-12,19H,6-7,10,13-15,21H2/b22-20-
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PubMed
8.00E+3n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
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PubMed
8.65E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50046327
PNG
(3-Amino-1,4-diphenyl-butan-2-one | CHEMBL70658)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H17NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit amidase activity of LTA4 hydrolase (1.4 ug) purified from human leukocytes


J Med Chem 36: 211-20 (1993)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50046331
PNG
(((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyrylamino)-...)
Show SMILES N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(17)12(18)14-7-10(15)16/h1-5,9,11,17H,6-7,13H2,(H,14,18)(H,15,16)/t9-,11-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Leukotriene A4 hydrolase from human leukocytes


Bioorg Med Chem Lett 1: 551-556 (1991)


Article DOI: 10.1016/S0960-894X(01)80464-9
BindingDB Entry DOI: 10.7270/Q2M32W8B
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50046331
PNG
(((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyrylamino)-...)
Show SMILES N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(17)12(18)14-7-10(15)16/h1-5,9,11,17H,6-7,13H2,(H,14,18)(H,15,16)/t9-,11-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit amidase activity of LTA4 hydrolase (1.4 ug) purified from human leukocytes


J Med Chem 36: 211-20 (1993)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23980
PNG
((3Z)-3-{[(5-phenylpentyl)oxy]imino}-1,2,3,4-tetrah...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-20-15-18-12-6-7-13-19(18)16-21(20)23-24-14-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,20H,2,5,8,11,14-16,22H2/b23-21-
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PubMed
3.00E+4n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50279808
PNG
((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyric acid me...)
Show SMILES COC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO3/c1-15-11(14)10(13)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,13H,7,12H2,1H3/t9-,10-/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit amidase activity of LTA4 hydrolase (1.4 ug) purified from human leukocytes


J Med Chem 36: 211-20 (1993)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50279808
PNG
((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyric acid me...)
Show SMILES COC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO3/c1-15-11(14)10(13)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,13H,7,12H2,1H3/t9-,10-/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Leukotriene A4 hydrolase from human leukocytes


Bioorg Med Chem Lett 1: 551-556 (1991)


Article DOI: 10.1016/S0960-894X(01)80464-9
BindingDB Entry DOI: 10.7270/Q2M32W8B
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397950
PNG
(CHEMBL2179972)
Show SMILES N[C@H]1CCc2ccccc2[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C18H19NO/c19-17-11-10-14-8-4-5-9-15(14)16(18(17)20)12-13-6-2-1-3-7-13/h1-9,16-17H,10-12,19H2/t16-,17+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397951
PNG
(CHEMBL2179981)
Show SMILES N[C@H]1CCc2ccccc2[C@@H](CCc2ccccc2)C1=O
Show InChI InChI=1S/C19H21NO/c20-18-13-11-15-8-4-5-9-16(15)17(19(18)21)12-10-14-6-2-1-3-7-14/h1-9,17-18H,10-13,20H2/t17-,18+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397952
PNG
(CHEMBL2179979)
Show SMILES N[C@H]1CCc2ccccc2[C@@H](Sc2ccccc2)C1=O
Show InChI InChI=1S/C17H17NOS/c18-15-11-10-12-6-4-5-9-14(12)17(16(15)19)20-13-7-2-1-3-8-13/h1-9,15,17H,10-11,18H2/t15-,17+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397953
PNG
(CHEMBL2179978)
Show SMILES N[C@H]1CCc2ccccc2[C@H](Sc2ccccc2)C1=O
Show InChI InChI=1S/C17H17NOS/c18-15-11-10-12-6-4-5-9-14(12)17(16(15)19)20-13-7-2-1-3-8-13/h1-9,15,17H,10-11,18H2/t15-,17-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397954
PNG
(CHEMBL2179977)
Show SMILES N[C@H]1CCc2ccccc2[C@H](SCc2ccccc2)C1=O
Show InChI InChI=1S/C18H19NOS/c19-16-11-10-14-8-4-5-9-15(14)18(17(16)20)21-12-13-6-2-1-3-7-13/h1-9,16,18H,10-12,19H2/t16-,18-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397949
PNG
(CHEMBL2179973)
Show SMILES N[C@H]1CCc2ccccc2[C@@H](CCCc2ccccc2)C1=O
Show InChI InChI=1S/C20H23NO/c21-19-14-13-16-10-4-5-11-17(16)18(20(19)22)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,18-19H,6,9,12-14,21H2/t18-,19+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397956
PNG
(CHEMBL2179974)
Show SMILES N=C1CCc2ccccc2C(Cc2ccccc2)C1=O
Show InChI InChI=1S/C18H17NO/c19-17-11-10-14-8-4-5-9-15(14)16(18(17)20)12-13-6-2-1-3-7-13/h1-9,16,19H,10-12H2
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3.80E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by Dixon-plot analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397957
PNG
(CHEMBL2179980)
Show SMILES N[C@H]1CCc2ccccc2[C@H](CCc2ccccc2)C1=O
Show InChI InChI=1S/C19H21NO/c20-18-13-11-15-8-4-5-9-16(15)17(19(18)21)12-10-14-6-2-1-3-7-14/h1-9,17-18H,10-13,20H2/t17-,18-/m0/s1
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4.70E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by Dixon-plot analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397955
PNG
(CHEMBL2179976)
Show SMILES N[C@H]1CCc2ccccc2[C@H](F)C1=O
Show InChI InChI=1S/C11H12FNO/c12-10-8-4-2-1-3-7(8)5-6-9(13)11(10)14/h1-4,9-10H,5-6,13H2/t9-,10-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50397948
PNG
(CHEMBL2179975)
Show SMILES N[C@H]1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2/t10-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326921
PNG
(4-(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- yl...)
Show SMILES OC(=O)CCCC1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1
Show InChI InChI=1S/C24H29NO4/c26-24(27)7-3-4-18-12-14-25(15-13-18)16-19-8-10-20(11-9-19)23-17-28-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,18,23H,3-4,7,12-17H2,(H,26,27)/t23-/m1/s1
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US Patent
n/an/a 0.0420n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326945
PNG
(1-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES NC(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C20H24N4O3/c21-20(25)23-16-7-10-24(11-8-16)12-14-3-5-15(6-4-14)18-13-26-17-2-1-9-22-19(17)27-18/h1-6,9,16,18H,7-8,10-13H2,(H3,21,23,25)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327137
PNG
(4-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES OC(=O)c1ccc(cc1)C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C26H26N2O4/c29-26(30)22-9-7-19(8-10-22)20-11-14-28(15-12-20)16-18-3-5-21(6-4-18)24-17-31-23-2-1-13-27-25(23)32-24/h1-10,13,20,24H,11-12,14-17H2,(H,29,30)/t24-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327181
PNG
(1-{(1S,4S)-5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,...)
Show SMILES CC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C22H25N3O3/c1-15(26)25-13-18-8-9-19(25)12-24(18)11-16-4-6-17(7-5-16)21-14-27-20-3-2-10-23-22(20)28-21/h2-7,10,18-19,21H,8-9,11-14H2,1H3/t18-,19-,21+/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327189
PNG
(5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyridin...)
Show SMILES NC(=O)N1CC2CN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)CC2C1
Show InChI InChI=1S/C21H24N4O3/c22-21(26)25-11-16-9-24(10-17(16)12-25)8-14-3-5-15(6-4-14)19-13-27-18-2-1-7-23-20(18)28-19/h1-7,16-17,19H,8-13H2,(H2,22,26)/t16?,17?,19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327016
PNG
((3S)-3-{4-[(1s,4s)-7- azabicyclo[2.2.1]hept-7- y...)
Show SMILES C(N1[C@H]2CC[C@@H]1CC2)c1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C20H22N2O2/c1-2-18-20(21-11-1)24-19(13-23-18)15-5-3-14(4-6-15)12-22-16-7-8-17(22)10-9-16/h1-6,11,16-17,19H,7-10,12-13H2/t16-,17+,19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326957
PNG
(N-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES CS(=O)(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C20H25N3O4S/c1-28(24,25)22-17-8-11-23(12-9-17)13-15-4-6-16(7-5-15)19-14-26-18-3-2-10-21-20(18)27-19/h2-7,10,17,19,22H,8-9,11-14H2,1H3/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327151
PNG
(7-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES NC(=O)N1CCCC11CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)C1
Show InChI InChI=1S/C23H27N3O3/c24-22(27)26-12-3-10-23(26)11-13-25(16-23)14-17-6-8-18(9-7-17)21-15-28-19-4-1-2-5-20(19)29-21/h1-2,4-9,21H,3,10-16H2,(H2,24,27)/t21-,23?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327040
PNG
(4-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES OC(=O)CCCC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C23H28N2O4/c26-22(27)5-1-3-17-10-13-25(14-11-17)15-18-6-8-19(9-7-18)21-16-28-20-4-2-12-24-23(20)29-21/h2,4,6-9,12,17,21H,1,3,5,10-11,13-16H2,(H,26,27)/t21-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326992
PNG
((3S)-3-[4-(azepan-1- ylmethyl)phenyl]-2,3- dihyd...)
Show SMILES C(N1CCCCCC1)c1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C20H24N2O2/c1-2-4-13-22(12-3-1)14-16-7-9-17(10-8-16)19-15-23-18-6-5-11-21-20(18)24-19/h5-11,19H,1-4,12-15H2/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326947
PNG
(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES CC1CCCCN1Cc1ccc(cc1)[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C21H25NO2/c1-16-6-4-5-13-22(16)14-17-9-11-18(12-10-17)21-15-23-19-7-2-3-8-20(19)24-21/h2-3,7-12,16,21H,4-6,13-15H2,1H3/t16?,21-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
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