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PubMed code 12139459

Compile data set for download or QSAR
Found 74 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))
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))
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))
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))
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))
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



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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50116559
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CCOC(=O)CCN(C)CCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-3-25-22(24)14-16-23(2)15-7-17-26-21-12-10-20(11-13-21)18-19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-18H2,1-2H3
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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
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))
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 120n/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))
BDBM50116540
PNG
(3-[3-(4-Benzyl-phenoxy)-propylamino]-propionic aci...)
Show SMILES OC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c21-19(22)11-13-20-12-4-14-23-18-9-7-17(8-10-18)15-16-5-2-1-3-6-16/h1-3,5-10,20H,4,11-15H2,(H,21,22)
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n/an/a 140n/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))
BDBM50116558
PNG
(3-({3-[4-(4-Fluoro-phenoxy)-phenoxy]-propyl}-methy...)
Show SMILES CN(CCCOc1ccc(Oc2ccc(F)cc2)cc1)CCC(O)=O
Show InChI InChI=1S/C19H22FNO4/c1-21(13-11-19(22)23)12-2-14-24-16-7-9-18(10-8-16)25-17-5-3-15(20)4-6-17/h3-10H,2,11-14H2,1H3,(H,22,23)
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n/an/a 160n/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))
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 190n/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))
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 190n/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))
BDBM50116559
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CCOC(=O)CCN(C)CCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-3-25-22(24)14-16-23(2)15-7-17-26-21-12-10-20(11-13-21)18-19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-18H2,1-2H3
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n/an/a 190n/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))
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 190n/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))
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 190n/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))
BDBM50085251
PNG
(1-[2-(Biphenyl-4-yloxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
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n/an/a 200n/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))
BDBM50116558
PNG
(3-({3-[4-(4-Fluoro-phenoxy)-phenoxy]-propyl}-methy...)
Show SMILES CN(CCCOc1ccc(Oc2ccc(F)cc2)cc1)CCC(O)=O
Show InChI InChI=1S/C19H22FNO4/c1-21(13-11-19(22)23)12-2-14-24-16-7-9-18(10-8-16)25-17-5-3-15(20)4-6-17/h3-10H,2,11-14H2,1H3,(H,22,23)
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n/an/a 210n/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))
BDBM50116547
PNG
(3-[2-(4-Benzyl-phenoxy)-ethylamino]-propionic acid...)
Show SMILES COC(=O)CCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-22-19(21)11-12-20-13-14-23-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3
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n/an/a 220n/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))
BDBM50116546
PNG
(2-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-eth...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(O)(=O)=O
Show InChI InChI=1S/C19H25NO4S/c1-20(13-15-25(21,22)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,(H,21,22,23)
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n/an/a 220n/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 230n/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))
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 230n/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))
BDBM50116545
PNG
(CHEMBL117314 | [5-(4-Benzyl-phenoxy)-pentylamino]-...)
Show SMILES CCOC(=O)CNCCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)18-23-15-7-4-8-16-26-21-13-11-20(12-14-21)17-19-9-5-3-6-10-19/h3,5-6,9-14,23H,2,4,7-8,15-18H2,1H3
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n/an/a 250n/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))
BDBM50116541
PNG
(3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...)
Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2ccsc2)cc1
Show InChI InChI=1S/C19H25NO3S/c1-20(11-8-19(21)22-2)10-3-12-23-18-6-4-16(5-7-18)14-17-9-13-24-15-17/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3
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n/an/a 250n/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))
BDBM50116540
PNG
(3-[3-(4-Benzyl-phenoxy)-propylamino]-propionic aci...)
Show SMILES OC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c21-19(22)11-13-20-12-4-14-23-18-9-7-17(8-10-18)15-16-5-2-1-3-6-16/h1-3,5-10,20H,4,11-15H2,(H,21,22)
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n/an/a 280n/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))
BDBM50116543
PNG
(3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl...)
Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccnc2)cc1
Show InChI InChI=1S/C20H26N2O3/c1-22(13-10-20(23)24-2)12-4-14-25-19-8-6-17(7-9-19)15-18-5-3-11-21-16-18/h3,5-9,11,16H,4,10,12-15H2,1-2H3
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n/an/a 300n/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))
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 350n/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))
BDBM50116545
PNG
(CHEMBL117314 | [5-(4-Benzyl-phenoxy)-pentylamino]-...)
Show SMILES CCOC(=O)CNCCCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)18-23-15-7-4-8-16-26-21-13-11-20(12-14-21)17-19-9-5-3-6-10-19/h3,5-6,9-14,23H,2,4,7-8,15-18H2,1H3
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n/an/a 420n/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))
BDBM50116551
PNG
(4-{[2-(4-Benzyl-phenoxy)-ethyl]-methyl-amino}-buty...)
Show SMILES COC(=O)CCCN(C)CCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO3/c1-22(14-6-9-21(23)24-2)15-16-25-20-12-10-19(11-13-20)17-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3
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n/an/a 450n/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))
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 450n/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 450n/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))
BDBM50116551
PNG
(4-{[2-(4-Benzyl-phenoxy)-ethyl]-methyl-amino}-buty...)
Show SMILES COC(=O)CCCN(C)CCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO3/c1-22(14-6-9-21(23)24-2)15-16-25-20-12-10-19(11-13-20)17-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3
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n/an/a 460n/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))
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 490n/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))
BDBM50116539
PNG
(3-{[4-(4-Benzyl-phenoxy)-butyl]-methyl-amino}-prop...)
Show SMILES CCOC(=O)CCN(C)CCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C23H31NO3/c1-3-26-23(25)15-17-24(2)16-7-8-18-27-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h4-6,9-14H,3,7-8,15-19H2,1-2H3
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n/an/a 520n/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))
BDBM50116555
PNG
(CHEMBL118014 | [3-(4-Benzyl-phenoxy)-propyl]-methy...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1
Show InChI InChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3
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n/an/a 560n/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))
BDBM50116547
PNG
(3-[2-(4-Benzyl-phenoxy)-ethylamino]-propionic acid...)
Show SMILES COC(=O)CCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-22-19(21)11-12-20-13-14-23-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-10,20H,11-15H2,1H3
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n/an/a 590n/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))
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 740n/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))
BDBM50085251
PNG
(1-[2-(Biphenyl-4-yloxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
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n/an/a 790n/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))
BDBM50116543
PNG
(3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl...)
Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccnc2)cc1
Show InChI InChI=1S/C20H26N2O3/c1-22(13-10-20(23)24-2)12-4-14-25-19-8-6-17(7-9-19)15-18-5-3-11-21-16-18/h3,5-9,11,16H,4,10,12-15H2,1-2H3
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n/an/a 820n/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))
BDBM50116541
PNG
(3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...)
Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2ccsc2)cc1
Show InChI InChI=1S/C19H25NO3S/c1-20(11-8-19(21)22-2)10-3-12-23-18-6-4-16(5-7-18)14-17-9-13-24-15-17/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3
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n/an/a 870n/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))
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 950n/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))
BDBM50116549
PNG
(CHEMBL323873 | [3-(4-Benzyl-phenoxy)-propylamino]-...)
Show SMILES CCOC(=O)CNCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO3/c1-2-23-20(22)16-21-13-6-14-24-19-11-9-18(10-12-19)15-17-7-4-3-5-8-17/h3-5,7-12,21H,2,6,13-16H2,1H3
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n/an/a 1.10E+3n/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))
BDBM50116555
PNG
(CHEMBL118014 | [3-(4-Benzyl-phenoxy)-propyl]-methy...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1
Show InChI InChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3
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n/an/a 1.65E+3n/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))
BDBM50116550
PNG
(5-[2-(4-Benzyl-phenoxy)-ethylamino]-pentanoic acid...)
Show SMILES CCOC(=O)CCCCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)10-6-7-15-23-16-17-26-21-13-11-20(12-14-21)18-19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,2,6-7,10,15-18H2,1H3
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n/an/a 2.50E+3n/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))
BDBM50116534
PNG
(CHEMBL116908 | [2-(4-Benzyl-phenoxy)-ethylamino]-a...)
Show SMILES CCOC(=O)CNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-22-19(21)15-20-12-13-23-18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3
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n/an/a 2.50E+3n/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))
BDBM50116552
PNG
(4-[2-(4-Benzyl-phenoxy)-ethylamino]-butyric acid e...)
Show SMILES CCOC(=O)CCCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO3/c1-2-24-21(23)9-6-14-22-15-16-25-20-12-10-19(11-13-20)17-18-7-4-3-5-8-18/h3-5,7-8,10-13,22H,2,6,9,14-17H2,1H3
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n/an/a 2.50E+3n/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))
BDBM50116549
PNG
(CHEMBL323873 | [3-(4-Benzyl-phenoxy)-propylamino]-...)
Show SMILES CCOC(=O)CNCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO3/c1-2-23-20(22)16-21-13-6-14-24-19-11-9-18(10-12-19)15-17-7-4-3-5-8-17/h3-5,7-12,21H,2,6,13-16H2,1H3
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n/an/a 3.00E+3n/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))
BDBM50116556
PNG
(CHEMBL119422 | {[4-(4-Benzyl-phenoxy)-butyl]-methy...)
Show SMILES CCOC(=O)CN(C)CCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-3-25-22(24)18-23(2)15-7-8-16-26-21-13-11-20(12-14-21)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3
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n/an/a 3.30E+3n/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))
BDBM50116552
PNG
(4-[2-(4-Benzyl-phenoxy)-ethylamino]-butyric acid e...)
Show SMILES CCOC(=O)CCCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO3/c1-2-24-21(23)9-6-14-22-15-16-25-20-12-10-19(11-13-20)17-18-7-4-3-5-8-18/h3-5,7-8,10-13,22H,2,6,9,14-17H2,1H3
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n/an/a 3.70E+3n/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))
BDBM50116546
PNG
(2-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-eth...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(O)(=O)=O
Show InChI InChI=1S/C19H25NO4S/c1-20(13-15-25(21,22)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,(H,21,22,23)
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n/an/a 5.20E+3n/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))
BDBM50116556
PNG
(CHEMBL119422 | {[4-(4-Benzyl-phenoxy)-butyl]-methy...)
Show SMILES CCOC(=O)CN(C)CCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-3-25-22(24)18-23(2)15-7-8-16-26-21-13-11-20(12-14-21)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3
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n/an/a 6.60E+3n/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))
BDBM50116539
PNG
(3-{[4-(4-Benzyl-phenoxy)-butyl]-methyl-amino}-prop...)
Show SMILES CCOC(=O)CCN(C)CCCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C23H31NO3/c1-3-26-23(25)15-17-24(2)16-7-8-18-27-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h4-6,9-14H,3,7-8,15-19H2,1-2H3
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n/an/a>1.00E+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))
BDBM50116550
PNG
(5-[2-(4-Benzyl-phenoxy)-ethylamino]-pentanoic acid...)
Show SMILES CCOC(=O)CCCCNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)10-6-7-15-23-16-17-26-21-13-11-20(12-14-21)18-19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,2,6-7,10,15-18H2,1H3
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n/an/a 1.07E+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))
BDBM50116534
PNG
(CHEMBL116908 | [2-(4-Benzyl-phenoxy)-ethylamino]-a...)
Show SMILES CCOC(=O)CNCCOc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-22-19(21)15-20-12-13-23-18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3
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n/an/a>3.00E+4n/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
* indicates data uncertainty>20%