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Articleid 50034693

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
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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Article
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 A-4 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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Article
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 A-4 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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Article
n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
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
3D
3D Structure (crystal)
Leukotriene A-4 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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Article
n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
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
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50022752
PNG
((R)-3-Amino-2-mercapto-4-phenyl-butyric acid methy...)
Show SMILES COC(=O)C(S)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(15)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,15H,7,12H2,1H3/t9-,10?/m1/s1
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Article
n/an/a>2.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
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 A-4 hydrolase


(Homo sapiens (Human))
BDBM50046322
PNG
((2R,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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Article
n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
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 A-4 hydrolase


(Homo sapiens (Human))
BDBM50046339
PNG
((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyric acid | ...)
Show SMILES N[C@@H](Cc1ccccc1)[C@H](O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1
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Article
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
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 A-4 hydrolase


(Homo sapiens (Human))
BDBM50046332
PNG
((E)-3,3-Difluoro-4-oxo-6-phenyl-hex-5-enoic acid e...)
Show SMILES CCOC(=O)CC(F)(F)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C14H14F2O3/c1-2-19-13(18)10-14(15,16)12(17)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
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Article
n/an/a>5.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
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
* indicates data uncertainty>20%