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Compile Data Set for Download or QSAR

Found 768 hits with Last Name = 'steinhilber' and Initial = 'd'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50323701
PNG
(2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...)
Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2
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2n/an/an/an/an/an/an/an/a



Institut für Molekulare Physiologie

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3)


Nat Chem Biol 5: 585-92 (2009)


Article DOI: 10.1038/nchembio.188
BindingDB Entry DOI: 10.7270/Q2MP53F2
More data for this
Ligand-Target Pair
Leukotriene A4 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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3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197085
PNG
(CHEMBL3921982)
Show SMILES CN(C)CCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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320n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197084
PNG
(CHEMBL3883608)
Show SMILES Nc1nc(cs1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
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360n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 5n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C


J Med Chem 48: 6997-7004 (2005)


Article DOI: 10.1021/jm050619h
BindingDB Entry DOI: 10.7270/Q2N29WH3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 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 6n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate pr...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 6n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C


J Med Chem 48: 6997-7004 (2005)


Article DOI: 10.1021/jm050619h
BindingDB Entry DOI: 10.7270/Q2N29WH3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 6.80n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibitory concentration against COX-2; (valus obtained by Kato et al.)


J Med Chem 48: 6997-7004 (2005)


Article DOI: 10.1021/jm050619h
BindingDB Entry DOI: 10.7270/Q2N29WH3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50038460
PNG
(CHEMBL3353726)
Show SMILES COc1ccc(cc1)-c1sc(nc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3
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n/an/a 10n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate assessed as product formation incubated for 15 mins prior to substrate addition ...


Eur J Med Chem 89: 503-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.054
BindingDB Entry DOI: 10.7270/Q2959K5T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C


J Med Chem 48: 6997-7004 (2005)


Article DOI: 10.1021/jm050619h
BindingDB Entry DOI: 10.7270/Q2N29WH3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50399873
PNG
(CHEMBL2180621)
Show SMILES CCOC(=O)c1cccn1Cc1ccc(CNC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C22H29N3O3/c1-2-28-21(26)20-9-6-14-25(20)16-18-12-10-17(11-13-18)15-23-22(27)24-19-7-4-3-5-8-19/h6,9-14,19H,2-5,7-8,15-16H2,1H3,(H2,23,24,27)
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n/an/a 23n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibitory concentration against COX-2; (valus obtained by Kato et al.)


J Med Chem 48: 6997-7004 (2005)


Article DOI: 10.1021/jm050619h
BindingDB Entry DOI: 10.7270/Q2N29WH3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 26n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibitory concentration against COX-2; (valus obtained by Kato et al.)


J Med Chem 48: 6997-7004 (2005)


Article DOI: 10.1021/jm050619h
BindingDB Entry DOI: 10.7270/Q2N29WH3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50399874
PNG
(CHEMBL2180620)
Show SMILES CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C22H29N3O3/c1-2-28-21(26)20-12-7-13-25(20)16-18-9-6-8-17(14-18)15-23-22(27)24-19-10-4-3-5-11-19/h6-9,12-14,19H,2-5,10-11,15-16H2,1H3,(H2,23,24,27)
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n/an/a 27n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144900
PNG
(CHEMBL3764468)
Show SMILES CCOC(=O)C(CC)Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3NO3/c1-3-16(21(28)29-4-2)12-15-8-7-10-17(13-15)20(27)26-14-18-9-5-6-11-19(18)22(23,24)25/h5-11,13,16H,3-4,12,14H2,1-2H3,(H,26,27)
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n/an/a 27n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50365616
PNG
(CHEMBL1958141)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H29N3O/c1-20-12-17-25-29-26(27(30(25)18-20)28-23-10-6-3-7-11-23)22-13-15-24(16-14-22)31-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,23,28H,3,6-7,10-11,19H2,1H3
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n/an/a 30n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...


Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50444531
PNG
(CHEMBL3099680)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1
Show InChI InChI=1S/C26H27N3O2S/c30-22-7-5-21(6-8-22)28-25-29-23(15-32-25)19-1-3-20(4-2-19)27-24(31)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18,30H,9-14H2,(H,27,31)(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



Goethe University

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...


ACS Med Chem Lett 4: 1169-72 (2013)


Article DOI: 10.1021/ml4002562
BindingDB Entry DOI: 10.7270/Q228092M
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144891
PNG
(CHEMBL3764792)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4/c1-4-16(22(29)31-5-2)12-15-6-8-17(9-7-15)21(28)27-14-18-10-11-19(30-3)13-20(18)23(24,25)26/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,27,28)
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n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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 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
Arachidonate 5-lipoxygenase


(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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144830
PNG
(CHEMBL3764004)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H24F3NO4/c1-3-16(21(28)29-4-2)13-15-9-11-17(12-10-15)20(27)26-14-18-7-5-6-8-19(18)30-22(23,24)25/h5-12,16H,3-4,13-14H2,1-2H3,(H,26,27)
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n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50038459
PNG
(CHEMBL3353725)
Show SMILES COc1ccc(Cc2sc(nc2O)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H14ClNO2S/c1-21-14-8-2-11(3-9-14)10-15-16(20)19-17(22-15)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL S100 extract using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10...


Eur J Med Chem 89: 503-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.054
BindingDB Entry DOI: 10.7270/Q2959K5T
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429375
PNG
(CHEMBL2336307)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33ClF3N5O3/c1-42-26-18-20(28-29(37-23-6-3-2-4-7-23)40-19-22(32)11-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-24-12-9-21(10-13-24)31(33,34)35/h8-15,18-19,23,37H,2-7,16-17H2,1H3,(H2,36,38,41)
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n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429376
PNG
(CHEMBL2336306)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33ClF3N5O4/c1-42-26-18-20(28-29(37-22-6-3-2-4-7-22)40-19-21(32)9-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-23-10-12-24(13-11-23)44-31(33,34)35/h8-15,18-19,22,37H,2-7,16-17H2,1H3,(H2,36,38,41)
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n/an/a 32n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429365
PNG
(CHEMBL2336297)
Show SMILES COc1ccc(cc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O4/c1-21-9-16-28-39-29(30(40(28)20-21)37-23-7-4-3-5-8-23)22-10-15-26(42-2)27(19-22)43-18-6-17-36-31(41)38-24-11-13-25(14-12-24)44-32(33,34)35/h9-16,19-20,23,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
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n/an/a 38n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429364
PNG
(CHEMBL2336298)
Show SMILES COc1ccc(cc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O3/c1-21-9-16-28-39-29(30(40(28)20-21)37-24-7-4-3-5-8-24)22-10-15-26(42-2)27(19-22)43-18-6-17-36-31(41)38-25-13-11-23(12-14-25)32(33,34)35/h9-16,19-20,24,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
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n/an/a 38n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50399864
PNG
(CHEMBL2180619)
Show SMILES CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O3/c1-2-28-21(26)20-13-8-14-25(20)16-18-10-7-6-9-17(18)15-23-22(27)24-19-11-4-3-5-12-19/h6-10,13-14,19H,2-5,11-12,15-16H2,1H3,(H2,23,24,27)
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n/an/a 39n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144899
PNG
(CHEMBL3765080)
Show SMILES CCOC(=O)C(\CC)=C\c1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3/c1-3-16(21(28)29-4-2)12-15-8-7-10-17(13-15)20(27)26-14-18-9-5-6-11-19(18)22(23,24)25/h5-13H,3-4,14H2,1-2H3,(H,26,27)/b16-12+
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n/an/a 40n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50365618
PNG
(CHEMBL1958143)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H29N3O/c1-20-15-16-25-29-26(27(30(25)18-20)28-23-12-6-3-7-13-23)22-11-8-14-24(17-22)31-19-21-9-4-2-5-10-21/h2,4-5,8-11,14-18,23,28H,3,6-7,12-13,19H2,1H3
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n/an/a 40n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...


Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429367
PNG
(CHEMBL2336315)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCC1
Show InChI InChI=1S/C30H31F4N5O3/c1-41-25-17-19(27-28(36-22-5-2-3-6-22)39-18-21(31)10-14-26(39)38-27)7-13-24(25)42-16-4-15-35-29(40)37-23-11-8-20(9-12-23)30(32,33)34/h7-14,17-18,22,36H,2-6,15-16H2,1H3,(H2,35,37,40)
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n/an/a 42n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50399872
PNG
(CHEMBL2180622)
Show SMILES CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C26H33N3O3/c1-2-32-24(30)23-8-5-9-29(23)17-22-7-4-3-6-21(22)16-27-25(31)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,2,10-17H2,1H3,(H2,27,28,31)/t18-,19+,20-,26?
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n/an/a 43n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429378
PNG
(CHEMBL2336304)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O3/c1-21-9-16-28-39-29(30(40(28)20-21)37-24-7-4-3-5-8-24)22-10-15-26(27(19-22)42-2)43-18-6-17-36-31(41)38-25-13-11-23(12-14-25)32(33,34)35/h9-16,19-20,24,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
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n/an/a 44n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144794
PNG
(CHEMBL3764773)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3NO3/c1-3-16(21(28)29-4-2)13-15-9-11-17(12-10-15)20(27)26-14-18-7-5-6-8-19(18)22(23,24)25/h5-12,16H,3-4,13-14H2,1-2H3,(H,26,27)
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n/an/a 44n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50399871
PNG
(CHEMBL2180623)
Show SMILES CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1
Show InChI InChI=1S/C26H33N3O3/c1-2-32-24(30)23-7-4-8-29(23)17-19-6-3-5-18(9-19)16-27-25(31)28-26-13-20-10-21(14-26)12-22(11-20)15-26/h3-9,20-22H,2,10-17H2,1H3,(H2,27,28,31)/t20-,21+,22-,26?
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n/an/a 46n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 50n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production pre...


J Med Chem 54: 1943-7 (2011)

Checked by Author
Article DOI: 10.1021/jm101165z
BindingDB Entry DOI: 10.7270/Q23T9J70
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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PubMed
n/an/a 50n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of LTB4 production preincubated for 15 mins measured after 10 mins by HPLC me...


J Med Chem 54: 1943-7 (2011)

Checked by Author
Article DOI: 10.1021/jm101165z
BindingDB Entry DOI: 10.7270/Q23T9J70
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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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PubMed
n/an/a 50n/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
Arachidonate 5-lipoxygenase


(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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PubMed
n/an/a 50n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50038460
PNG
(CHEMBL3353726)
Show SMILES COc1ccc(cc1)-c1sc(nc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3
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n/an/a 50n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL S100 extract using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10...


Eur J Med Chem 89: 503-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.054
BindingDB Entry DOI: 10.7270/Q2959K5T
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50365646
PNG
(CHEMBL1958140)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27N3O/c1-19-15-16-24-28-25(26(29(24)18-19)27-21-10-4-2-5-11-21)20-9-8-14-23(17-20)30-22-12-6-3-7-13-22/h3,6-9,12-18,21,27H,2,4-5,10-11H2,1H3
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n/an/a 50n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...


Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 50n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipooxygenase in cell free S100 freshly isolated human PMNL cells assessed as inhibition of A23187-stimulated 5-LO product formation ...


Bioorg Med Chem 20: 3575-83 (2012)


Article DOI: 10.1016/j.bmc.2012.04.003
BindingDB Entry DOI: 10.7270/Q2HD7WPS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 50n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...


Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429373
PNG
(CHEMBL2336309)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33F4N5O3/c1-42-26-18-20(28-29(37-23-6-3-2-4-7-23)40-19-22(32)11-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-24-12-9-21(10-13-24)31(33,34)35/h8-15,18-19,23,37H,2-7,16-17H2,1H3,(H2,36,38,41)
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n/an/a 52n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50365632
PNG
(CHEMBL1957971)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H30N4O/c1-18-7-12-22-26-23(24(28(22)17-18)25-20-5-3-2-4-6-20)19-8-10-21(11-9-19)27-13-15-29-16-14-27/h7-12,17,20,25H,2-6,13-16H2,1H3
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PubMed
n/an/a 59n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197085
PNG
(CHEMBL3921982)
Show SMILES CN(C)CCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate pr...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50365636
PNG
(CHEMBL1957975)
Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H29ClN4/c25-19-11-14-22-27-23(24(29(22)17-19)26-20-7-3-1-4-8-20)18-9-12-21(13-10-18)28-15-5-2-6-16-28/h9-14,17,20,26H,1-8,15-16H2
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n/an/a 60n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...


Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
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