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Compile Data Set for Download or QSAR

Found 872 hits Enz. Inhib. hit(s) with Target = 'Leukotriene A4 hydrolase' AND taxid = 9606   
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


(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

Assay Description
Inhibitory activity against LTA 4 hydrolase in aminopeptidase assay


Citation and Details
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

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


Citation and Details
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)

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)

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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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+3 -30.3n/an/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...


Citation and Details
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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8.00E+3 -29.6n/an/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...


Citation and Details
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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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


Citation and Details
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)

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

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


Citation and Details
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)

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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3.00E+4 -26.2n/an/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...


Citation and Details
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

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


Citation and Details
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)

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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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Universit£ de Haute Alsace

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50402386
PNG
(CHEMBL2207747)
Show SMILES CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1
Show InChI InChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28)
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n/an/a 0.300n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116537
PNG
(3-({3-[4-(Biphenyl-4-yloxy)-phenoxy]-propyl}-methy...)
Show SMILES CN(CCCOc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C25H27NO4/c1-26(18-16-25(27)28)17-5-19-29-22-12-14-24(15-13-22)30-23-10-8-21(9-11-23)20-6-3-2-4-7-20/h2-4,6-15H,5,16-19H2,1H3,(H,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Gyeongsang National University (GNU)

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116537
PNG
(3-({3-[4-(Biphenyl-4-yloxy)-phenoxy]-propyl}-methy...)
Show SMILES CN(CCCOc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C25H27NO4/c1-26(18-16-25(27)28)17-5-19-29-22-12-14-24(15-13-22)30-23-10-8-21(9-11-23)20-6-3-2-4-7-20/h2-4,6-15H,5,16-19H2,1H3,(H,27,28)
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n/an/a<0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human whole blood LTB-4 production (Leukotriene B-4).


J Med Chem 45: 3482-90 (2002)

More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50125433
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]py...)
Show SMILES N#Cc1ccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc2n1
Show InChI InChI=1S/C22H18N4O/c23-15-19-8-11-21-22(25-19)24-16-26(21)12-13-27-20-9-6-18(7-10-20)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human leukotriene A4 hydrolase.


Bioorg Med Chem Lett 13: 1137-9 (2003)

More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50251744
PNG
(CHEMBL481672 | endo-4-(2-(3-(4-(4-(oxazol-2-yl)phe...)
Show SMILES OC(=O)c1ccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C31H31N3O4/c35-31(36)23-3-1-21(2-4-23)15-17-34-26-9-10-27(34)20-25(19-26)33-24-7-13-29(14-8-24)38-28-11-5-22(6-12-28)30-32-16-18-37-30/h1-8,11-14,16,18,25-27,33H,9-10,15,17,19-20H2,(H,35,36)/t25-,26+,27-
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n/an/a 1n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50402382
PNG
(CHEMBL2207751)
Show SMILES CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1
Show InChI InChI=1S/C22H24N4O2S/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27)
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n/an/a 1n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50317487
PNG
((S)-2-((4-(4-(thiophen-3-yl)phenoxy)phenoxy)methyl...)
Show SMILES C(Oc1ccc(Oc2ccc(cc2)-c2ccsc2)cc1)[C@@H]1CCCCN1
Show InChI InChI=1S/C22H23NO2S/c1-2-13-23-19(3-1)15-24-20-8-10-22(11-9-20)25-21-6-4-17(5-7-21)18-12-14-26-16-18/h4-12,14,16,19,23H,1-3,13,15H2/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116563
PNG
(CHEMBL323686 | N-(3-{[3-(4-Benzyl-phenoxy)-propyl]...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N2O4S/c1-28(19-17-26(29)27-33(30,31)25-11-6-3-7-12-25)18-8-20-32-24-15-13-23(14-16-24)21-22-9-4-2-5-10-22/h2-7,9-16H,8,17-21H2,1H3,(H,27,29)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase (LTA-4).


J Med Chem 45: 3482-90 (2002)

More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116562
PNG
(CHEMBL117549 | [4-(4-Benzyl-phenoxy)-butylamino]-a...)
Show SMILES OC(=O)CNCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c21-19(22)15-20-12-4-5-13-23-18-10-8-17(9-11-18)14-16-6-2-1-3-7-16/h1-3,6-11,20H,4-5,12-15H2,(H,21,22)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase (LTA-4).


J Med Chem 45: 3482-90 (2002)

More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116554
PNG
(CHEMBL119683 | N-(3-{[3-(4-Benzyl-phenoxy)-propyl]...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C21H28N2O4S/c1-23(15-13-21(24)22-28(2,25)26)14-6-16-27-20-11-9-19(10-12-20)17-18-7-4-3-5-8-18/h3-5,7-12H,6,13-17H2,1-2H3,(H,22,24)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase (LTA-4).


J Med Chem 45: 3482-90 (2002)

More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50425166
PNG
(CHEMBL2313573)
Show SMILES CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12
Show InChI InChI=1S/C24H24N4O3S/c1-14(29)26-16-9-17-4-5-18(10-16)28(17)12-15-13-30-21-11-19(6-7-20(15)21)31-24-27-23-22(32-24)3-2-8-25-23/h2-3,6-8,11,13,16-18H,4-5,9-10,12H2,1H3,(H,26,29)/t16-,17+,18-
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n/an/a 1.60n/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as substrate incubated for 10 mins prior to substrate addition measured after...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116560
PNG
(3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...)
Show SMILES CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(O)=O
Show InChI InChI=1S/C18H23NO3S/c1-19(10-7-18(20)21)9-2-11-22-17-5-3-15(4-6-17)13-16-8-12-23-14-16/h3-6,8,12,14H,2,7,9-11,13H2,1H3,(H,20,21)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase (LTA-4).


J Med Chem 45: 3482-90 (2002)

More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50116560
PNG
(3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...)
Show SMILES CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(O)=O
Show InChI InChI=1S/C18H23NO3S/c1-19(10-7-18(20)21)9-2-11-22-17-5-3-15(4-6-17)13-16-8-12-23-14-16/h3-6,8,12,14H,2,7,9-11,13H2,1H3,(H,20,21)
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n/an/a 2n/an/an/an/an/an/a



Gyeongsang National University (GNU)

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50251705
PNG
(4-(2-(3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pip...)
Show SMILES OC(=O)c1ccc(CCN2CCCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-5-3-21(4-6-23)15-18-32-17-1-2-25(20-32)31-24-9-13-27(14-10-24)36-26-11-7-22(8-12-26)28-30-16-19-35-28/h3-14,16,19,25,31H,1-2,15,17-18,20H2,(H,33,34)
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n/an/a 2n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A4 hydrolase (LTA-4).


J Med Chem 45: 3482-90 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.5n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of leukotriene A4 hydrolase in human recombinant assay


Bioorg Med Chem Lett 12: 3383-6 (2002)

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