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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'achenbach' and Initial = 'j'   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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n/an/a 30n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50312882
PNG
(4-(4-(3,4-dichlorophenyl)thiazol-2-ylamino)phenol ...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H10Cl2N2OS/c16-12-6-1-9(7-13(12)17)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051932
PNG
(CHEMBL3318370)
Show SMILES CCOc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H16N2O2S/c1-2-21-15-9-3-12(4-10-15)16-11-22-17(19-16)18-13-5-7-14(20)8-6-13/h3-11,20H,2H2,1H3,(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM91660
PNG
(N-aryl-4-aryl-1,3-thiazole-2-amine, 9)
Show SMILES Oc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)13-9-20-15(18-13)17-12-3-1-2-4-14(12)19/h1-9,19H,(H,17,18)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051857
PNG
(CHEMBL3318382)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H18ClN3OS/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)21-16-5-7-17(8-6-16)23-9-11-24-12-10-23/h1-8,13H,9-12H2,(H,21,22)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50382192
PNG
(CHEMBL2023847)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051863
PNG
(CHEMBL1081479)
Show SMILES Cc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM91656
PNG
(N-aryl-4-aryl-1,3-thiazole-2-amine, 3)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H11FN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50293576
PNG
(4-(4-phenylthiazol-2-ylamino)phenol | 4131JH0380 |...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
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n/an/a 100n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 107n/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to s...


Bioorg Med Chem Lett 22: 6762-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.066
BindingDB Entry DOI: 10.7270/Q2028SNC
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50293576
PNG
(4-(4-phenylthiazol-2-ylamino)phenol | 4131JH0380 |...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
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n/an/a 300n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051856
PNG
(CHEMBL3318381)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-3-1-11(2-4-12)14-10-23-17(20-14)19-13-5-6-15-16(9-13)22-8-7-21-15/h1-6,9-10H,7-8H2,(H,19,20)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051937
PNG
(CHEMBL3318373)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C17H15ClN2O2S/c1-21-15-8-7-13(9-16(15)22-2)19-17-20-14(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20)
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n/an/a 400n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM49887
PNG
(4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine |...)
Show SMILES COc1ccc(cc1)-c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-20-16(18-15)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051855
PNG
(CHEMBL3318380)
Show SMILES OC(c1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11ClF6N2OS/c19-12-5-1-10(2-6-12)14-9-29-15(27-14)26-13-7-3-11(4-8-13)16(28,17(20,21)22)18(23,24)25/h1-9,28H,(H,26,27)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051854
PNG
(CHEMBL3318379)
Show SMILES FC(F)(F)c1cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H9ClF6N2S/c18-12-3-1-9(2-4-12)14-8-27-15(26-14)25-13-6-10(16(19,20)21)5-11(7-13)17(22,23)24/h1-8H,(H,25,26)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051934
PNG
(CHEMBL1080391)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H13ClN2OS/c1-20-14-8-6-13(7-9-14)18-16-19-15(10-21-16)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,19)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051862
PNG
(CHEMBL3318369)
Show SMILES Nc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H13N3OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,16H2,(H,17,18)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384785
PNG
(CHEMBL2037376)
Show SMILES Cn1nnc2cc(NC(=O)NCCC3=CCCCC3)ccc12
Show InChI InChI=1S/C16H21N5O/c1-21-15-8-7-13(11-14(15)19-20-21)18-16(22)17-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,17,18,22)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051853
PNG
(CHEMBL3318378)
Show SMILES FC(F)(F)Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-3-1-10(2-4-11)14-9-24-15(22-14)21-12-5-7-13(8-6-12)23-16(18,19)20/h1-9H,(H,21,22)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051858
PNG
(CHEMBL3318383)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18)
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n/an/a 500n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051938
PNG
(CHEMBL3318374)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c(OC)c1
Show InChI InChI=1S/C17H15ClN2O2S/c1-21-13-7-8-14(16(9-13)22-2)19-17-20-15(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20)
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n/an/a 600n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051852
PNG
(CHEMBL3318377)
Show SMILES FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H10ClF3N2S/c17-12-5-1-10(2-6-12)14-9-23-15(22-14)21-13-7-3-11(4-8-13)16(18,19)20/h1-9H,(H,21,22)
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n/an/a 600n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051932
PNG
(CHEMBL3318370)
Show SMILES CCOc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H16N2O2S/c1-2-21-15-9-3-12(4-10-15)16-11-22-17(19-16)18-13-5-7-14(20)8-6-13/h3-11,20H,2H2,1H3,(H,18,19)
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n/an/a 600n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051859
PNG
(CHEMBL3318384)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H11FN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18)
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n/an/a 600n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051936
PNG
(CHEMBL68504)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C15H11ClN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM91656
PNG
(N-aryl-4-aryl-1,3-thiazole-2-amine, 3)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H11FN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051863
PNG
(CHEMBL1081479)
Show SMILES Cc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18)
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n/an/a 900n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM91660
PNG
(N-aryl-4-aryl-1,3-thiazole-2-amine, 9)
Show SMILES Oc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)13-9-20-15(18-13)17-12-3-1-2-4-14(12)19/h1-9,19H,(H,17,18)
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n/an/a 900n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051851
PNG
(CHEMBL3318376)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2cc(Cl)cc(Cl)c2)n1
Show InChI InChI=1S/C15H9Cl3N2S/c16-10-3-1-9(2-4-10)14-8-21-15(20-14)19-13-6-11(17)5-12(18)7-13/h1-8H,(H,19,20)
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n/an/a 900n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50312882
PNG
(4-(4-(3,4-dichlorophenyl)thiazol-2-ylamino)phenol ...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H10Cl2N2OS/c16-12-6-1-9(7-13(12)17)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)
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n/an/a 900n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM49484
PNG
((4-methoxyphenyl)-(4-phenylthiazol-2-yl)amine | ML...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H14N2OS/c1-19-14-9-7-13(8-10-14)17-16-18-15(11-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051933
PNG
(CHEMBL1087624)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-6-4-10(5-7-11)14-9-20-15(18-14)17-12-2-1-3-13(19)8-12/h1-9,19H,(H,17,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384786
PNG
(CHEMBL1364973)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)-n2cnnn2)cc1
Show InChI InChI=1S/C15H13N5O2/c1-22-14-7-5-12(6-8-14)17-15(21)11-3-2-4-13(9-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM49887
PNG
(4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine |...)
Show SMILES COc1ccc(cc1)-c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-20-16(18-15)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384782
PNG
(CHEMBL2037373)
Show SMILES CN(C)c1ccc(cc1)-n1nc2ccc3ccccc3c2n1
Show InChI InChI=1S/C18H16N4/c1-21(2)14-8-10-15(11-9-14)22-19-17-12-7-13-5-3-4-6-16(13)18(17)20-22/h3-12H,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051935
PNG
(CHEMBL3318372)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2OS/c1-20-15-5-3-2-4-13(15)18-16-19-14(10-21-16)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384783
PNG
(CHEMBL2037374)
Show SMILES COc1ccc(cc1OC)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H15NO3/c1-10-4-6-13-12(8-10)17-16(20-13)11-5-7-14(18-2)15(9-11)19-3/h4-9H,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051861
PNG
(CHEMBL3318386)
Show SMILES Clc1ccc(Nc2nc(cs2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H18ClN3O3S2/c20-15-3-5-16(6-4-15)21-19-22-18(13-27-19)14-1-7-17(8-2-14)28(24,25)23-9-11-26-12-10-23/h1-8,13H,9-12H2,(H,21,22)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051853
PNG
(CHEMBL3318378)
Show SMILES FC(F)(F)Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-3-1-10(2-4-11)14-9-24-15(22-14)21-12-5-7-13(8-6-12)23-16(18,19)20/h1-9H,(H,21,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051858
PNG
(CHEMBL3318383)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051856
PNG
(CHEMBL3318381)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-3-1-11(2-4-12)14-10-23-17(20-14)19-13-5-6-15-16(9-13)22-8-7-21-15/h1-6,9-10H,7-8H2,(H,19,20)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50382192
PNG
(CHEMBL2023847)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50394028
PNG
(CHEMBL2158536)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN3O6S/c17-12-4-1-5-13(10-12)19-16(21)26-9-3-8-18-27(24,25)15-7-2-6-14(11-15)20(22)23/h1-2,4-7,10-11,18H,3,8-9H2,(H,19,21)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to s...


Bioorg Med Chem Lett 22: 6762-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.066
BindingDB Entry DOI: 10.7270/Q2028SNC
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051854
PNG
(CHEMBL3318379)
Show SMILES FC(F)(F)c1cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H9ClF6N2S/c18-12-3-1-9(2-4-12)14-8-27-15(26-14)25-13-6-10(16(19,20)21)5-11(7-13)17(22,23)24/h1-8H,(H,25,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051859
PNG
(CHEMBL3318384)
Show SMILES Oc1ccc(cc1)-c1csc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H11FN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384784
PNG
(CHEMBL2037375)
Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C16H16N2O2/c1-10-4-6-12-13(8-10)18-16(17-12)11-5-7-14(19-2)15(9-11)20-3/h4-9H,1-3H3,(H,17,18)
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50293579
PNG
(3-(4-Phenylthiazol-2-ylamino)phenol | CHEMBL554135)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccccc2)c1
Show InChI InChI=1S/C15H12N2OS/c18-13-8-4-7-12(9-13)16-15-17-14(10-19-15)11-5-2-1-3-6-11/h1-10,18H,(H,16,17)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before subs...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50051862
PNG
(CHEMBL3318369)
Show SMILES Nc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H13N3OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,16H2,(H,17,18)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 m...


Eur J Med Chem 84: 302-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.025
BindingDB Entry DOI: 10.7270/Q2WM1G2Z
More data for this
Ligand-Target Pair
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