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PubMed code 18590959

Compile data set for download or QSAR
Found 61 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))
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 |r,THB:8:9:16.15.14:11.12|
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)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 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)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251665
PNG
(4-(2-(4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pip...)
Show SMILES OC(=O)c1ccc(CCN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-3-1-21(2-4-23)13-17-32-18-14-25(15-19-32)31-24-7-11-27(12-8-24)36-26-9-5-22(6-10-26)28-30-16-20-35-28/h1-12,16,20,25,31H,13-15,17-19H2,(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251397
PNG
(CHEMBL480334 | endo-4-((3-(4-benzylphenylamino)-8-...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Cc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H30N2O2/c31-28(32)23-10-6-22(7-11-23)19-30-26-14-15-27(30)18-25(17-26)29-24-12-8-21(9-13-24)16-20-4-2-1-3-5-20/h1-13,25-27,29H,14-19H2,(H,31,32)/t25-,26+,27-
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251627
PNG
(4-((methyl(3-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...)
Show SMILES CN(CCCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H27N3O4/c1-30(19-20-3-5-22(6-4-20)27(31)32)17-2-15-28-23-9-13-25(14-10-23)34-24-11-7-21(8-12-24)26-29-16-18-33-26/h3-14,16,18,28H,2,15,17,19H2,1H3,(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251805
PNG
(CHEMBL481171 | endo-4-((3-(4-(4-(1H-pyrrol-1-yl)ph...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-n3cccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C31H31N3O3/c35-31(36)23-5-3-22(4-6-23)21-34-27-9-10-28(34)20-25(19-27)32-24-7-13-29(14-8-24)37-30-15-11-26(12-16-30)33-17-1-2-18-33/h1-8,11-18,25,27-28,32H,9-10,19-21H2,(H,35,36)/t25-,27+,28-
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n/an/a 4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251666
PNG
(4-((4-((4-(4-(oxazol-2-yl)phenoxy)phenylamino)meth...)
Show SMILES OC(=O)c1ccc(CN2CCC(CNc3ccc(Oc4ccc(cc4)-c4ncco4)cc3)CC2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)24-3-1-22(2-4-24)20-32-16-13-21(14-17-32)19-31-25-7-11-27(12-8-25)36-26-9-5-23(6-10-26)28-30-15-18-35-28/h1-12,15,18,21,31H,13-14,16-17,19-20H2,(H,33,34)
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251743
PNG
(CHEMBL481671 | endo-4-((3-(4-(4-(oxazol-2-yl)pheno...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C30H29N3O4/c34-30(35)22-3-1-20(2-4-22)19-33-25-9-10-26(33)18-24(17-25)32-23-7-13-28(14-8-23)37-27-11-5-21(6-12-27)29-31-15-16-36-29/h1-8,11-16,24-26,32H,9-10,17-19H2,(H,34,35)/t24-,25+,26-
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251839
PNG
(CHEMBL480949 | endo-4-{3-[4-(Biphenyl-4-yloxy)-phe...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C33H32N2O3/c36-33(37)26-8-6-23(7-9-26)22-35-29-14-15-30(35)21-28(20-29)34-27-12-18-32(19-13-27)38-31-16-10-25(11-17-31)24-4-2-1-3-5-24/h1-13,16-19,28-30,34H,14-15,20-22H2,(H,36,37)/t28-,29+,30-
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251775
PNG
(CHEMBL480347 | endo-4-((3-(4-(4-chlorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27ClN2O3/c28-20-5-11-25(12-6-20)33-26-13-7-21(8-14-26)29-22-15-23-9-10-24(16-22)30(23)17-18-1-3-19(4-2-18)27(31)32/h1-8,11-14,22-24,29H,9-10,15-17H2,(H,31,32)/t22-,23+,24-
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n/an/a 6n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251778
PNG
(CHEMBL471954 | endo-4-((3-(4-(2-fluorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3F)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27FN2O3/c28-25-3-1-2-4-26(25)33-24-13-9-20(10-14-24)29-21-15-22-11-12-23(16-21)30(22)17-18-5-7-19(8-6-18)27(31)32/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,31,32)/t21-,22+,23-
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n/an/a 6n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251706
PNG
(4-((3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pyrro...)
Show SMILES OC(=O)c1ccc(CN2CCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C27H25N3O4/c31-27(32)21-3-1-19(2-4-21)17-30-15-13-23(18-30)29-22-7-11-25(12-8-22)34-24-9-5-20(6-10-24)26-28-14-16-33-26/h1-12,14,16,23,29H,13,15,17-18H2,(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251838
PNG
(CHEMBL481531 | endo-4-((3-(4-(4-(thiazol-2-yl)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3nccs3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C30H29N3O3S/c34-30(35)22-3-1-20(2-4-22)19-33-25-9-10-26(33)18-24(17-25)32-23-7-13-28(14-8-23)36-27-11-5-21(6-12-27)29-31-15-16-37-29/h1-8,11-16,24-26,32H,9-10,17-19H2,(H,34,35)/t24-,25+,26-
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n/an/a 8n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251840
PNG
(CHEMBL481110 | endo-4-((3-(4-(benzo[d]thiazol-2-yl...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3nc4ccccc4s3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H27N3O3S/c32-27(33)19-7-5-18(6-8-19)17-31-22-11-12-23(31)16-21(15-22)29-20-9-13-24(14-10-20)34-28-30-25-3-1-2-4-26(25)35-28/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,32,33)/t21-,22+,23-
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n/an/a 9n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251668
PNG
(4-((methyl(4-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)C1CCC(CC1)Nc1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |(36.8,-1.72,;36.79,-.18,;38.13,.59,;39.48,-.18,;39.49,-1.72,;40.83,-2.47,;42.15,-1.69,;42.13,-.15,;40.79,.6,;43.5,-2.45,;43.51,-3.99,;44.81,-1.67,;35.45,.58,;34.14,-.2,;32.8,.56,;32.79,2.1,;34.11,2.88,;35.45,2.13,;31.44,2.88,;30.1,2.1,;30.11,.56,;28.79,-.22,;27.43,.56,;26.07,-.2,;24.74,.6,;23.4,-.16,;22.07,.62,;22.1,2.17,;23.44,2.92,;24.76,2.15,;20.78,2.96,;19.33,2.42,;18.38,3.62,;19.24,4.91,;20.71,4.49,;27.43,2.1,;28.76,2.88,)|
Show InChI InChI=1S/C30H31N3O4/c1-33(20-21-2-4-23(5-3-21)30(34)35)26-12-8-24(9-13-26)32-25-10-16-28(17-11-25)37-27-14-6-22(7-15-27)29-31-18-19-36-29/h2-7,10-11,14-19,24,26,32H,8-9,12-13,20H2,1H3,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251667
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)cyclo...)
Show SMILES OC(=O)c1ccc(CNC2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |(15.61,-3.03,;15.6,-1.48,;16.91,-.7,;14.25,-.72,;12.93,-1.51,;11.59,-.75,;11.58,.78,;10.23,1.56,;8.89,.78,;7.55,1.55,;6.24,.76,;4.9,1.52,;4.89,3.07,;6.21,3.85,;7.55,3.1,;3.54,3.85,;2.2,3.07,;2.21,1.53,;.89,.75,;-.48,1.53,;-1.83,.77,;-3.16,1.57,;-4.5,.81,;-5.83,1.59,;-5.8,3.13,;-4.46,3.89,;-3.14,3.11,;-7.12,3.92,;-8.57,3.38,;-9.52,4.58,;-8.66,5.87,;-7.19,5.46,;-.47,3.07,;.86,3.85,;12.89,1.57,;14.23,.82,)|
Show InChI InChI=1S/C29H29N3O4/c33-29(34)22-3-1-20(2-4-22)19-31-23-7-9-24(10-8-23)32-25-11-15-27(16-12-25)36-26-13-5-21(6-14-26)28-30-17-18-35-28/h1-6,11-18,23-24,31-32H,7-10,19H2,(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251804
PNG
(CHEMBL481165 | endo-4-((3-(4-(4-(trifluoromethyl)p...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H27F3N2O3/c29-28(30,31)20-5-11-25(12-6-20)36-26-13-7-21(8-14-26)32-22-15-23-9-10-24(16-22)33(23)17-18-1-3-19(4-2-18)27(34)35/h1-8,11-14,22-24,32H,9-10,15-17H2,(H,34,35)/t22-,23+,24-
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n/an/a 13n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251745
PNG
(CHEMBL520596 | endo-4-((3-(4-phenoxyphenylamino)-8...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H28N2O3/c30-27(31)20-8-6-19(7-9-20)18-29-23-12-13-24(29)17-22(16-23)28-21-10-14-26(15-11-21)32-25-4-2-1-3-5-25/h1-11,14-15,22-24,28H,12-13,16-18H2,(H,30,31)/t22-,23+,24-
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n/an/a 14n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251707
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)azepa...)
Show SMILES OC(=O)c1ccc(CN2CCCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-5-3-21(4-6-23)20-32-17-1-2-24(15-18-32)31-25-9-13-27(14-10-25)36-26-11-7-22(8-12-26)28-30-16-19-35-28/h3-14,16,19,24,31H,1-2,15,17-18,20H2,(H,33,34)
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n/an/a 15n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251627
PNG
(4-((methyl(3-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...)
Show SMILES CN(CCCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H27N3O4/c1-30(19-20-3-5-22(6-4-20)27(31)32)17-2-15-28-23-9-13-25(14-10-23)34-24-11-7-21(8-12-24)26-29-16-18-33-26/h3-14,16,18,28H,2,15,17,19H2,1H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251838
PNG
(CHEMBL481531 | endo-4-((3-(4-(4-(thiazol-2-yl)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3nccs3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C30H29N3O3S/c34-30(35)22-3-1-20(2-4-22)19-33-25-9-10-26(33)18-24(17-25)32-23-7-13-28(14-8-23)36-27-11-5-21(6-12-27)29-31-15-16-37-29/h1-8,11-16,24-26,32H,9-10,17-19H2,(H,34,35)/t24-,25+,26-
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n/an/a 19n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251745
PNG
(CHEMBL520596 | endo-4-((3-(4-phenoxyphenylamino)-8...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H28N2O3/c30-27(31)20-8-6-19(7-9-20)18-29-23-12-13-24(29)17-22(16-23)28-21-10-14-26(15-11-21)32-25-4-2-1-3-5-25/h1-11,14-15,22-24,28H,12-13,16-18H2,(H,30,31)/t22-,23+,24-
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n/an/a 20n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251803
PNG
(CHEMBL481691 | endo-4-((3-(4-(4-methoxyphenoxy)phe...)
Show SMILES COc1ccc(Oc2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(cc3)C(O)=O)cc2)cc1 |r,THB:20:19:13.12.18:15.16|
Show InChI InChI=1S/C28H30N2O4/c1-33-25-12-14-27(15-13-25)34-26-10-6-21(7-11-26)29-22-16-23-8-9-24(17-22)30(23)18-19-2-4-20(5-3-19)28(31)32/h2-7,10-15,22-24,29H,8-9,16-18H2,1H3,(H,31,32)/t22-,23+,24-
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n/an/a 23n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251839
PNG
(CHEMBL480949 | endo-4-{3-[4-(Biphenyl-4-yloxy)-phe...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C33H32N2O3/c36-33(37)26-8-6-23(7-9-26)22-35-29-14-15-30(35)21-28(20-29)34-27-12-18-32(19-13-27)38-31-16-10-25(11-17-31)24-4-2-1-3-5-24/h1-13,16-19,28-30,34H,14-15,20-22H2,(H,36,37)/t28-,29+,30-
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n/an/a 25n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251626
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)piper...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C28H27N3O4/c32-28(33)22-3-1-20(2-4-22)19-31-16-13-24(14-17-31)30-23-7-11-26(12-8-23)35-25-9-5-21(6-10-25)27-29-15-18-34-27/h1-12,15,18,24,30H,13-14,16-17,19H2,(H,32,33)
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n/an/a 30n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251805
PNG
(CHEMBL481171 | endo-4-((3-(4-(4-(1H-pyrrol-1-yl)ph...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-n3cccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C31H31N3O3/c35-31(36)23-5-3-22(4-6-23)21-34-27-9-10-28(34)20-25(19-27)32-24-7-13-29(14-8-24)37-30-15-11-26(12-16-30)33-17-1-2-18-33/h1-8,11-18,25,27-28,32H,9-10,19-21H2,(H,35,36)/t25-,27+,28-
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n/an/a 30n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251707
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)azepa...)
Show SMILES OC(=O)c1ccc(CN2CCCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-5-3-21(4-6-23)20-32-17-1-2-24(15-18-32)31-25-9-13-27(14-10-25)36-26-11-7-22(8-12-26)28-30-16-19-35-28/h3-14,16,19,24,31H,1-2,15,17-18,20H2,(H,33,34)
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n/an/a 30n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251777
PNG
(CHEMBL471779 | endo-4-((3-(4-(4-fluorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27FN2O3/c28-20-5-11-25(12-6-20)33-26-13-7-21(8-14-26)29-22-15-23-9-10-24(16-22)30(23)17-18-1-3-19(4-2-18)27(31)32/h1-8,11-14,22-24,29H,9-10,15-17H2,(H,31,32)/t22-,23+,24-
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n/an/a 30n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251743
PNG
(CHEMBL481671 | endo-4-((3-(4-(4-(oxazol-2-yl)pheno...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C30H29N3O4/c34-30(35)22-3-1-20(2-4-22)19-33-25-9-10-26(33)18-24(17-25)32-23-7-13-28(14-8-23)37-27-11-5-21(6-12-27)29-31-15-16-36-29/h1-8,11-16,24-26,32H,9-10,17-19H2,(H,34,35)/t24-,25+,26-
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n/an/a 40n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251777
PNG
(CHEMBL471779 | endo-4-((3-(4-(4-fluorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27FN2O3/c28-20-5-11-25(12-6-20)33-26-13-7-21(8-14-26)29-22-15-23-9-10-24(16-22)30(23)17-18-1-3-19(4-2-18)27(31)32/h1-8,11-14,22-24,29H,9-10,15-17H2,(H,31,32)/t22-,23+,24-
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n/an/a 40n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 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 |r,THB:8:9:16.15.14:11.12|
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 40n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251778
PNG
(CHEMBL471954 | endo-4-((3-(4-(2-fluorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3F)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27FN2O3/c28-25-3-1-2-4-26(25)33-24-13-9-20(10-14-24)29-21-15-22-11-12-23(16-21)30(22)17-18-5-7-19(8-6-18)27(31)32/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,31,32)/t21-,22+,23-
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n/an/a 40n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251397
PNG
(CHEMBL480334 | endo-4-((3-(4-benzylphenylamino)-8-...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Cc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H30N2O2/c31-28(32)23-10-6-22(7-11-23)19-30-26-14-15-27(30)18-25(17-26)29-24-12-8-21(9-13-24)16-20-4-2-1-3-5-20/h1-13,25-27,29H,14-19H2,(H,31,32)/t25-,26+,27-
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n/an/a 40n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251454
PNG
(4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-25(29)20-8-6-19(7-9-20)18-27-16-14-22(15-17-27)26-21-10-12-24(13-11-21)30-23-4-2-1-3-5-23/h1-13,22,26H,14-18H2,(H,28,29)
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n/an/a 46n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251396
PNG
(CHEMBL480333 | endo-4-((3-(4-(benzyloxy)phenylamin...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(OCc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H30N2O3/c31-28(32)22-8-6-20(7-9-22)18-30-25-12-13-26(30)17-24(16-25)29-23-10-14-27(15-11-23)33-19-21-4-2-1-3-5-21/h1-11,14-15,24-26,29H,12-13,16-19H2,(H,31,32)/t24-,25+,26-
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n/an/a 47n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251665
PNG
(4-(2-(4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pip...)
Show SMILES OC(=O)c1ccc(CCN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)23-3-1-21(2-4-23)13-17-32-18-14-25(15-19-32)31-24-7-11-27(12-8-24)36-26-9-5-22(6-10-26)28-30-16-20-35-28/h1-12,16,20,25,31H,13-15,17-19H2,(H,33,34)
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n/an/a 50n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251706
PNG
(4-((3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)pyrro...)
Show SMILES OC(=O)c1ccc(CN2CCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C27H25N3O4/c31-27(32)21-3-1-19(2-4-21)17-30-15-13-23(18-30)29-22-7-11-25(12-8-22)34-24-9-5-20(6-10-24)26-28-14-16-33-26/h1-12,14,16,23,29H,13,15,17-18H2,(H,31,32)
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n/an/a 60n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251399
PNG
(4-((4-(methyl(2-oxo-2-(4-phenoxyphenylamino)ethyl)...)
Show SMILES CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(cc2)C(O)=O)CC1
Show InChI InChI=1S/C28H31N3O4/c1-30(24-15-17-31(18-16-24)19-21-7-9-22(10-8-21)28(33)34)20-27(32)29-23-11-13-26(14-12-23)35-25-5-3-2-4-6-25/h2-14,24H,15-20H2,1H3,(H,29,32)(H,33,34)
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n/an/a 60n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251704
PNG
(4-((3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)piper...)
Show SMILES OC(=O)c1ccc(CN2CCCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C28H27N3O4/c32-28(33)22-5-3-20(4-6-22)18-31-16-1-2-24(19-31)30-23-9-13-26(14-10-23)35-25-11-7-21(8-12-25)27-29-15-17-34-27/h3-15,17,24,30H,1-2,16,18-19H2,(H,32,33)
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n/an/a 60n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 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 70n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251398
PNG
(CHEMBL480335 | endo-4-((3-(4-(pyridin-4-ylmethyl)p...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Cc3ccncc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H29N3O2/c31-27(32)22-5-1-21(2-6-22)18-30-25-9-10-26(30)17-24(16-25)29-23-7-3-19(4-8-23)15-20-11-13-28-14-12-20/h1-8,11-14,24-26,29H,9-10,15-18H2,(H,31,32)/t24-,25+,26-
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n/an/a 75n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251626
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)piper...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C28H27N3O4/c32-28(33)22-3-1-20(2-4-22)19-31-16-13-24(14-17-31)30-23-7-11-26(12-8-23)35-25-9-5-21(6-10-25)27-29-15-18-34-27/h1-12,15,18,24,30H,13-14,16-17,19H2,(H,32,33)
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n/an/a 80n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251668
PNG
(4-((methyl(4-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)C1CCC(CC1)Nc1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |(36.8,-1.72,;36.79,-.18,;38.13,.59,;39.48,-.18,;39.49,-1.72,;40.83,-2.47,;42.15,-1.69,;42.13,-.15,;40.79,.6,;43.5,-2.45,;43.51,-3.99,;44.81,-1.67,;35.45,.58,;34.14,-.2,;32.8,.56,;32.79,2.1,;34.11,2.88,;35.45,2.13,;31.44,2.88,;30.1,2.1,;30.11,.56,;28.79,-.22,;27.43,.56,;26.07,-.2,;24.74,.6,;23.4,-.16,;22.07,.62,;22.1,2.17,;23.44,2.92,;24.76,2.15,;20.78,2.96,;19.33,2.42,;18.38,3.62,;19.24,4.91,;20.71,4.49,;27.43,2.1,;28.76,2.88,)|
Show InChI InChI=1S/C30H31N3O4/c1-33(20-21-2-4-23(5-3-21)30(34)35)26-12-8-24(9-13-26)32-25-10-16-28(17-11-25)37-27-14-6-22(7-15-27)29-31-18-19-36-29/h2-7,10-11,14-19,24,26,32H,8-9,12-13,20H2,1H3,(H,34,35)
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n/an/a 100n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251840
PNG
(CHEMBL481110 | endo-4-((3-(4-(benzo[d]thiazol-2-yl...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3nc4ccccc4s3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H27N3O3S/c32-27(33)19-7-5-18(6-8-19)17-31-22-11-12-23(31)16-21(15-22)29-20-9-13-24(14-10-20)34-28-30-25-3-1-2-4-26(25)35-28/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,32,33)/t21-,22+,23-
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n/an/a 100n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251628
PNG
(4-((methyl(2-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...)
Show SMILES CN(CCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25N3O4/c1-29(18-19-2-4-21(5-3-19)26(30)31)16-14-27-22-8-12-24(13-9-22)33-23-10-6-20(7-11-23)25-28-15-17-32-25/h2-13,15,17,27H,14,16,18H2,1H3,(H,30,31)
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n/an/a 130n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251803
PNG
(CHEMBL481691 | endo-4-((3-(4-(4-methoxyphenoxy)phe...)
Show SMILES COc1ccc(Oc2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(cc3)C(O)=O)cc2)cc1 |r,THB:20:19:13.12.18:15.16|
Show InChI InChI=1S/C28H30N2O4/c1-33-25-12-14-27(15-13-25)34-26-10-6-21(7-11-26)29-22-16-23-8-9-24(17-22)30(23)18-19-2-4-20(5-3-19)28(31)32/h2-7,10-15,22-24,29H,8-9,16-18H2,1H3,(H,31,32)/t22-,23+,24-
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n/an/a 170n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251704
PNG
(4-((3-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)piper...)
Show SMILES OC(=O)c1ccc(CN2CCCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
Show InChI InChI=1S/C28H27N3O4/c32-28(33)22-5-3-20(4-6-22)18-31-16-1-2-24(19-31)30-23-9-13-26(14-10-23)35-25-11-7-21(8-12-25)27-29-15-17-34-27/h3-15,17,24,30H,1-2,16,18-19H2,(H,32,33)
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n/an/a 200n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251667
PNG
(4-((4-(4-(4-(oxazol-2-yl)phenoxy)phenylamino)cyclo...)
Show SMILES OC(=O)c1ccc(CNC2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |(15.61,-3.03,;15.6,-1.48,;16.91,-.7,;14.25,-.72,;12.93,-1.51,;11.59,-.75,;11.58,.78,;10.23,1.56,;8.89,.78,;7.55,1.55,;6.24,.76,;4.9,1.52,;4.89,3.07,;6.21,3.85,;7.55,3.1,;3.54,3.85,;2.2,3.07,;2.21,1.53,;.89,.75,;-.48,1.53,;-1.83,.77,;-3.16,1.57,;-4.5,.81,;-5.83,1.59,;-5.8,3.13,;-4.46,3.89,;-3.14,3.11,;-7.12,3.92,;-8.57,3.38,;-9.52,4.58,;-8.66,5.87,;-7.19,5.46,;-.47,3.07,;.86,3.85,;12.89,1.57,;14.23,.82,)|
Show InChI InChI=1S/C29H29N3O4/c33-29(34)22-3-1-20(2-4-22)19-31-23-7-9-24(10-8-23)32-25-11-15-27(16-12-25)36-26-13-5-21(6-14-26)28-30-17-18-35-28/h1-6,11-18,23-24,31-32H,7-10,19H2,(H,33,34)
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n/an/a 220n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251396
PNG
(CHEMBL480333 | endo-4-((3-(4-(benzyloxy)phenylamin...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(OCc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H30N2O3/c31-28(32)22-8-6-20(7-9-22)18-30-25-12-13-26(30)17-24(16-25)29-23-10-14-27(15-11-23)33-19-21-4-2-1-3-5-21/h1-11,14-15,24-26,29H,12-13,16-19H2,(H,31,32)/t24-,25+,26-
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n/an/a 220n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251804
PNG
(CHEMBL481165 | endo-4-((3-(4-(4-(trifluoromethyl)p...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C28H27F3N2O3/c29-28(30,31)20-5-11-25(12-6-20)36-26-13-7-21(8-14-26)32-22-15-23-9-10-24(16-22)33(23)17-18-1-3-19(4-2-18)27(34)35/h1-8,11-14,22-24,32H,9-10,15-17H2,(H,34,35)/t22-,23+,24-
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n/an/a 230n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251422
PNG
(4-((4-((4-phenoxyphenyl)carbamoyl)piperidin-1-yl)m...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H26N2O4/c29-25(27-22-10-12-24(13-11-22)32-23-4-2-1-3-5-23)20-14-16-28(17-15-20)18-19-6-8-21(9-7-19)26(30)31/h1-13,20H,14-18H2,(H,27,29)(H,30,31)
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n/an/a 230n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251399
PNG
(4-((4-(methyl(2-oxo-2-(4-phenoxyphenylamino)ethyl)...)
Show SMILES CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(cc2)C(O)=O)CC1
Show InChI InChI=1S/C28H31N3O4/c1-30(24-15-17-31(18-16-24)19-21-7-9-22(10-8-21)28(33)34)20-27(32)29-23-11-13-26(14-12-23)35-25-5-3-2-4-6-25/h2-14,24H,15-20H2,1H3,(H,29,32)(H,33,34)
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n/an/a 270n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251775
PNG
(CHEMBL480347 | endo-4-((3-(4-(4-chlorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27ClN2O3/c28-20-5-11-25(12-6-20)33-26-13-7-21(8-14-26)29-22-15-23-9-10-24(16-22)30(23)17-18-1-3-19(4-2-18)27(31)32/h1-8,11-14,22-24,29H,9-10,15-17H2,(H,31,32)/t22-,23+,24-
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n/an/a 310n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251776
PNG
(CHEMBL520746 | endo-4-((3-(4-(2-chlorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27ClN2O3/c28-25-3-1-2-4-26(25)33-24-13-9-20(10-14-24)29-21-15-22-11-12-23(16-21)30(22)17-18-5-7-19(8-6-18)27(31)32/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,31,32)/t21-,22+,23-
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n/an/a 320n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251454
PNG
(4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-25(29)20-8-6-19(7-9-20)18-27-16-14-22(15-17-27)26-21-10-12-24(13-11-21)30-23-4-2-1-3-5-23/h1-13,22,26H,14-18H2,(H,28,29)
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n/an/a 350n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251422
PNG
(4-((4-((4-phenoxyphenyl)carbamoyl)piperidin-1-yl)m...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H26N2O4/c29-25(27-22-10-12-24(13-11-22)32-23-4-2-1-3-5-23)20-14-16-28(17-15-20)18-19-6-8-21(9-7-19)26(30)31/h1-13,20H,14-18H2,(H,27,29)(H,30,31)
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n/an/a 360n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251398
PNG
(CHEMBL480335 | endo-4-((3-(4-(pyridin-4-ylmethyl)p...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Cc3ccncc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H29N3O2/c31-27(32)22-5-1-21(2-6-22)18-30-25-9-10-26(30)17-24(16-25)29-23-7-3-19(4-8-23)15-20-11-13-28-14-12-20/h1-8,11-14,24-26,29H,9-10,15-18H2,(H,31,32)/t24-,25+,26-
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n/an/a 440n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251628
PNG
(4-((methyl(2-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...)
Show SMILES CN(CCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25N3O4/c1-29(18-19-2-4-21(5-3-19)26(30)31)16-14-27-22-8-12-24(13-9-22)33-23-10-6-20(7-11-23)25-28-15-17-32-25/h2-13,15,17,27H,14,16,18H2,1H3,(H,30,31)
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n/an/a 560n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251776
PNG
(CHEMBL520746 | endo-4-((3-(4-(2-chlorophenoxy)phen...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H27ClN2O3/c28-25-3-1-2-4-26(25)33-24-13-9-20(10-14-24)29-21-15-22-11-12-23(16-21)30(22)17-18-5-7-19(8-6-18)27(31)32/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,31,32)/t21-,22+,23-
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n/an/a 870n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251455
PNG
(4-((4-(methyl(4-phenoxyphenyl)carbamoyl)piperidin-...)
Show SMILES CN(C(=O)C1CCN(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H28N2O4/c1-28(23-11-13-25(14-12-23)33-24-5-3-2-4-6-24)26(30)21-15-17-29(18-16-21)19-20-7-9-22(10-8-20)27(31)32/h2-14,21H,15-19H2,1H3,(H,31,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251666
PNG
(4-((4-((4-(4-(oxazol-2-yl)phenoxy)phenylamino)meth...)
Show SMILES OC(=O)c1ccc(CN2CCC(CNc3ccc(Oc4ccc(cc4)-c4ncco4)cc3)CC2)cc1
Show InChI InChI=1S/C29H29N3O4/c33-29(34)24-3-1-22(2-4-24)20-32-16-13-21(14-17-32)19-31-25-7-11-27(12-8-25)36-26-9-5-23(6-10-26)28-30-15-18-35-28/h1-12,15,18,21,31H,13-14,16-17,19-20H2,(H,33,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%