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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'ghoreishi-haack' and Initial = 'ns'   
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))
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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116544
PNG
(2-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-eth...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(N)(=O)=O
Show InChI InChI=1S/C19H26N2O3S/c1-21(13-15-25(20,22)23)12-5-14-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H2,20,22,23)
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n/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116542
PNG
(3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propy...)
Show SMILES CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(O)=O
Show InChI InChI=1S/C18H23NO3S/c1-19(11-9-18(20)21)10-3-12-22-16-7-5-15(6-8-16)14-17-4-2-13-23-17/h2,4-8,13H,3,9-12,14H2,1H3,(H,20,21)
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n/an/a 4.70n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116561
PNG
(3-[4-(4-Benzyl-phenoxy)-butylamino]-propionic acid...)
Show SMILES CCOC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)14-16-23-15-6-7-17-26-21-12-10-20(11-13-21)18-19-8-4-3-5-9-19/h3-5,8-13,23H,2,6-7,14-18H2,1H3
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n/an/a 7n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116548
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(N)=O
Show InChI InChI=1S/C20H26N2O2/c1-22(14-12-20(21)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,(H2,21,23)
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n/an/a 7n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125435
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]py...)
Show SMILES C(Cn1cnc2ncccc12)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H19N3O/c1-2-5-17(6-3-1)15-18-8-10-19(11-9-18)25-14-13-24-16-23-21-20(24)7-4-12-22-21/h1-12,16H,13-15H2
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n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125420
PNG
(5-[2-(4-Benzyl-phenoxy)-ethyl]-5H-imidazo[4,5-c]py...)
Show SMILES C(Cn1ccc2ncnc2c1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H19N3O/c1-2-4-17(5-3-1)14-18-6-8-19(9-7-18)25-13-12-24-11-10-20-21(15-24)23-16-22-20/h1-11,15-16H,12-14H2
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n/an/a 11n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116532
PNG
(CHEMBL420502 | [4-(4-Benzyl-phenoxy)-butylamino]-a...)
Show SMILES CCOC(=O)CNCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO3/c1-2-24-21(23)17-22-14-6-7-15-25-20-12-10-19(11-13-20)16-18-8-4-3-5-9-18/h3-5,8-13,22H,2,6-7,14-17H2,1H3
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n/an/a 14n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121000
PNG
(CHEMBL116174 | {2-[2-(4-Benzyl-phenoxy)-ethyl]-2-a...)
Show SMILES COC(=O)CC1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:4:5:11.10:8|
Show InChI InChI=1S/C24H29NO3/c1-27-24(26)16-20-14-22-15-21(20)17-25(22)11-12-28-23-9-7-19(8-10-23)13-18-5-3-2-4-6-18/h2-10,20-22H,11-17H2,1H3
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n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121000
PNG
(CHEMBL116174 | {2-[2-(4-Benzyl-phenoxy)-ethyl]-2-a...)
Show SMILES COC(=O)CC1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:4:5:11.10:8|
Show InChI InChI=1S/C24H29NO3/c1-27-24(26)16-20-14-22-15-21(20)17-25(22)11-12-28-23-9-7-19(8-10-23)13-18-5-3-2-4-6-18/h2-10,20-22H,11-17H2,1H3
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n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121003
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-3-carbo...)
Show SMILES NC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
Show InChI InChI=1S/C20H24N2O2/c21-20(23)18-10-11-22(15-18)12-13-24-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H2,21,23)
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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116529
PNG
(3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propy...)
Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccs2)cc1
Show InChI InChI=1S/C19H25NO3S/c1-20(12-10-19(21)22-2)11-4-13-23-17-8-6-16(7-9-17)15-18-5-3-14-24-18/h3,5-9,14H,4,10-13,15H2,1-2H3
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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116531
PNG
(3-[4-(4-Benzyl-phenoxy)-butylamino]-propionic acid...)
Show SMILES OC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO3/c22-20(23)12-14-21-13-4-5-15-24-19-10-8-18(9-11-19)16-17-6-2-1-3-7-17/h1-3,6-11,21H,4-5,12-16H2,(H,22,23)
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n/an/a 18n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116533
PNG
(3-{Methyl-[3-(4-phenoxy-phenoxy)-propyl]-amino}-pr...)
Show SMILES CN(CCCOc1ccc(Oc2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C19H23NO4/c1-20(14-12-19(21)22)13-5-15-23-16-8-10-18(11-9-16)24-17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3,(H,21,22)
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n/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121009
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-ylamin...)
Show SMILES NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
Show InChI InChI=1S/C19H24N2O/c20-18-10-11-21(15-18)12-13-22-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18H,10-15,20H2
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 26n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 26n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116535
PNG
(3-(Methyl-{3-[4-(4-oxazol-2-yl-phenoxy)-phenoxy]-p...)
Show SMILES CN(CCCOc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)CCC(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-24(14-11-21(25)26)13-2-15-27-18-7-9-20(10-8-18)29-19-5-3-17(4-6-19)22-23-12-16-28-22/h3-10,12,16H,2,11,13-15H2,1H3,(H,25,26)
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n/an/a 27n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121023
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-ol | C...)
Show SMILES OC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
Show InChI InChI=1S/C19H23NO2/c21-18-10-11-20(15-18)12-13-22-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18,21H,10-15H2
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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125429
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]py...)
Show SMILES N#Cc1nccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc12
Show InChI InChI=1S/C22H18N4O/c23-15-20-22-21(10-11-24-20)26(16-25-22)12-13-27-19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
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n/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116536
PNG
(3-({3-[4-(4-Fluoro-benzyl)-phenoxy]-propyl}-methyl...)
Show SMILES CN(CCCOc1ccc(Cc2ccc(F)cc2)cc1)CCC(O)=O
Show InChI InChI=1S/C20H24FNO3/c1-22(13-11-20(23)24)12-2-14-25-19-9-5-17(6-10-19)15-16-3-7-18(21)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,24)
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n/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125421
PNG
(3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]py...)
Show SMILES [O-][n+]1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C21H19N3O2/c25-24-11-10-20-21(15-24)23(16-22-20)12-13-26-19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,15-16H,12-14H2
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n/an/a 36n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125426
PNG
(3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-purine | CHEMBL1...)
Show SMILES C(Cn1cncc2ncnc12)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18N4O/c1-2-4-16(5-3-1)12-17-6-8-18(9-7-17)25-11-10-24-15-21-13-19-20(24)23-14-22-19/h1-9,13-15H,10-12H2
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n/an/a 40n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085255
PNG
(2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ncco2)cc1
Show InChI InChI=1S/C21H22N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-11,15H,1-2,12-14,16H2
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n/an/a 43n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125427
PNG
(7-[2-(4-Benzyl-phenoxy)-ethyl]-7H-purine | CHEMBL1...)
Show SMILES C(Cn1cnc2ncncc12)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18N4O/c1-2-4-16(5-3-1)12-17-6-8-18(9-7-17)25-11-10-24-15-23-20-19(24)13-21-14-22-20/h1-9,13-15H,10-12H2
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n/an/a 47n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121010
PNG
(2-[2-(4-Benzyl-phenoxy)-ethyl]-2-aza-bicyclo[2.2.1...)
Show SMILES COC(=O)C1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:2:4:10.9:7|
Show InChI InChI=1S/C23H27NO3/c1-26-23(25)22-15-20-14-19(22)16-24(20)11-12-27-21-9-7-18(8-10-21)13-17-5-3-2-4-6-17/h2-10,19-20,22H,11-16H2,1H3
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n/an/a 47n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 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 49n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121008
PNG
(CHEMBL114563 | N-{1-[2-(4-Benzyl-phenoxy)-ethyl]-p...)
Show SMILES CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
Show InChI InChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25)
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n/an/a 50n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121001
PNG
(CHEMBL114494 | {1-[2-(4-Benzyl-phenoxy)-ethyl]-pip...)
Show SMILES OCC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
Show InChI InChI=1S/C21H27NO2/c23-17-20-10-12-22(13-11-20)14-15-24-21-8-6-19(7-9-21)16-18-4-2-1-3-5-18/h1-9,20,23H,10-17H2
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n/an/a 52n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085285
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-3-7-18(8-4-1)17-19-9-11-20(12-10-19)22-16-15-21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-17H2
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n/an/a 55n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50085255
PNG
(2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...)
Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ncco2)cc1
Show InChI InChI=1S/C21H22N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-11,15H,1-2,12-14,16H2
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n/an/a 55n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121011
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine-4-carbox...)
Show SMILES CNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
Show InChI InChI=1S/C22H28N2O2/c1-23-22(25)20-11-13-24(14-12-20)15-16-26-21-9-7-19(8-10-21)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)
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n/an/a 57n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 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 70n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116553
PNG
(3-(Methyl-{3-[4-(4-thiazol-2-yl-phenoxy)-phenoxy]-...)
Show SMILES CN(CCCOc1ccc(Oc2ccc(cc2)-c2nccs2)cc1)CCC(O)=O
Show InChI InChI=1S/C22H24N2O4S/c1-24(14-11-21(25)26)13-2-15-27-18-7-9-20(10-8-18)28-19-5-3-17(4-6-19)22-23-12-16-29-22/h3-10,12,16H,2,11,13-15H2,1H3,(H,25,26)
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n/an/a 72n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 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 75n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116561
PNG
(3-[4-(4-Benzyl-phenoxy)-butylamino]-propionic acid...)
Show SMILES CCOC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)14-16-23-15-6-7-17-26-21-12-10-20(11-13-21)18-19-8-4-3-5-9-19/h3-5,8-13,23H,2,6-7,14-18H2,1H3
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n/an/a 76n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121018
PNG
(CHEMBL114264 | {1-[2-(4-Benzyl-phenoxy)-ethyl]-pyr...)
Show SMILES NC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
Show InChI InChI=1S/C20H25N3O2/c21-20(24)22-18-10-11-23(15-18)12-13-25-19-8-6-17(7-9-19)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H3,21,22,24)
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n/an/a 81n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50125432
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]py...)
Show SMILES [O-][n+]1ccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc2c1
Show InChI InChI=1S/C21H19N3O2/c25-24-11-10-21-20(15-24)22-16-23(21)12-13-26-19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,15-16H,12-14H2
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n/an/a 82n/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)


BindingDB Entry DOI: 10.7270/Q2891587
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116530
PNG
(3-[3-(4-Benzyl-phenoxy)-propylamino]-propionic aci...)
Show SMILES CCOC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO3/c1-2-24-21(23)13-15-22-14-6-16-25-20-11-9-19(10-12-20)17-18-7-4-3-5-8-18/h3-5,7-12,22H,2,6,13-17H2,1H3
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n/an/a 84n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50121005
PNG
(CHEMBL115227 | {1-[2-(4-Benzyl-phenoxy)-ethyl]-pip...)
Show SMILES NC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c22-21(25)23-19-10-12-24(13-11-19)14-15-26-20-8-6-18(7-9-20)16-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H3,22,23,25)
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n/an/a 87n/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)


BindingDB Entry DOI: 10.7270/Q2N8795W
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116529
PNG
(3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propy...)
Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccs2)cc1
Show InChI InChI=1S/C19H25NO3S/c1-20(12-10-19(21)22-2)11-4-13-23-17-8-6-16(7-9-17)15-18-5-3-14-24-18/h3,5-9,14H,4,10-13,15H2,1-2H3
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n/an/a 95n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116548
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(N)=O
Show InChI InChI=1S/C20H26N2O2/c1-22(14-12-20(21)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,(H2,21,23)
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116557
PNG
(CHEMBL117455 | {[4-(4-Benzyl-phenoxy)-butyl]-methy...)
Show SMILES CN(CCCCOc1ccc(Cc2ccccc2)cc1)CC(O)=O
Show InChI InChI=1S/C20H25NO3/c1-21(16-20(22)23)13-5-6-14-24-19-11-9-18(10-12-19)15-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3,(H,22,23)
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2DV1KMF
More data for this
Ligand-Target Pair
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