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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'heering' 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
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
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)
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
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
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
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
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
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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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)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144898
PNG
(CHEMBL3764393)
Show SMILES CCOC(=O)C(\CC)=C\c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3/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/h5-13H,3-4,14H2,1-2H3,(H,26,27)/b16-13+
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n/an/a 63n/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))
BDBM50144896
PNG
(CHEMBL3763179)
Show SMILES CON(C)C(=O)\C=C\c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c1-25(28-2)18(26)12-9-14-7-10-15(11-8-14)19(27)24-13-16-5-3-4-6-17(16)20(21,22)23/h3-12H,13H2,1-2H3,(H,24,27)/b12-9+
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n/an/a 70n/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))
BDBM50144897
PNG
(CHEMBL3765638)
Show SMILES CON(C)C(=O)C1CC1c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O3/c1-26(29-2)20(28)17-11-16(17)13-7-9-14(10-8-13)19(27)25-12-15-5-3-4-6-18(15)21(22,23)24/h3-10,16-17H,11-12H2,1-2H3,(H,25,27)
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n/an/a 80n/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))
BDBM50144903
PNG
(CHEMBL3765492)
Show SMILES CCOC(=O)CCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H20F3NO3/c1-2-27-18(25)12-9-14-7-10-15(11-8-14)19(26)24-13-16-5-3-4-6-17(16)20(21,22)23/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,26)
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n/an/a 110n/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))
BDBM50144796
PNG
(CHEMBL3764848)
Show SMILES CC\C(=C/c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H18F3NO3/c1-2-14(19(26)27)11-13-7-9-15(10-8-13)18(25)24-12-16-5-3-4-6-17(16)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,25)(H,26,27)/b14-11+
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n/an/a 120n/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))
BDBM50144802
PNG
(CHEMBL3763278)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C26H24F3NO3/c1-2-33-25(32)22(19-8-4-3-5-9-19)16-18-12-14-20(15-13-18)24(31)30-17-21-10-6-7-11-23(21)26(27,28)29/h3-15,22H,2,16-17H2,1H3,(H,30,31)
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n/an/a 120n/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))
BDBM50144888
PNG
(CHEMBL3763887)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C22H23F4NO3/c1-3-15(21(29)30-4-2)11-14-5-7-16(8-6-14)20(28)27-13-17-9-10-18(23)12-19(17)22(24,25)26/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,27,28)
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n/an/a 120n/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))
BDBM50144800
PNG
(CHEMBL3764450)
Show SMILES CCCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C23H26F3NO3/c1-3-7-18(22(29)30-4-2)14-16-10-12-17(13-11-16)21(28)27-15-19-8-5-6-9-20(19)23(24,25)26/h5-6,8-13,18H,3-4,7,14-15H2,1-2H3,(H,27,28)
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n/an/a 170n/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))
BDBM50144893
PNG
(CHEMBL3765559)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H16F3NO3/c23-22(24,25)19-4-2-1-3-18(19)13-26-20(27)16-9-5-14(6-10-16)15-7-11-17(12-8-15)21(28)29/h1-12H,13H2,(H,26,27)(H,28,29)
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n/an/a 170n/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))
BDBM50144798
PNG
(CHEMBL3764424)
Show SMILES CCOC(=O)C(C)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3NO3/c1-3-28-20(27)14(2)12-15-8-10-16(11-9-15)19(26)25-13-17-6-4-5-7-18(17)21(22,23)24/h4-11,14H,3,12-13H2,1-2H3,(H,25,26)
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n/an/a 250n/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
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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n/an/a 300n/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)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144892
PNG
(CHEMBL3764398)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-6-15(7-5-13)19(26)25-12-16-8-9-17(29-2)11-18(16)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 330n/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
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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n/an/a 400n/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)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144901
PNG
(CHEMBL3765627)
Show SMILES CC\C(=C/c1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H18F3NO3/c1-2-14(19(26)27)10-13-6-5-8-15(11-13)18(25)24-12-16-7-3-4-9-17(16)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,25)(H,26,27)/b14-10+
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n/an/a 400n/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))
BDBM50144833
PNG
(CHEMBL3763432)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3NO3/c1-3-17(21(28)29-4-2)13-15-5-9-18(10-6-15)20(27)26-14-16-7-11-19(12-8-16)22(23,24)25/h5-12,17H,3-4,13-14H2,1-2H3,(H,26,27)
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n/an/a 570n/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))
BDBM50144909
PNG
(CHEMBL3763509)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1
Show InChI InChI=1S/C22H27NO4/c1-4-18(22(25)27-5-2)14-16-6-10-19(11-7-16)21(24)23-15-17-8-12-20(26-3)13-9-17/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,24)
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n/an/a 620n/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))
BDBM50144797
PNG
(CHEMBL3764607)
Show SMILES CCC(Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3NO3/c1-2-14(19(26)27)10-13-6-5-8-15(11-13)18(25)24-12-16-7-3-4-9-17(16)20(21,22)23/h3-9,11,14H,2,10,12H2,1H3,(H,24,25)(H,26,27)
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n/an/a 900n/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))
BDBM50144848
PNG
(CHEMBL3764546)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-3-17(21(28)29-4-2)13-15-5-9-18(10-6-15)20(27)26-14-16-7-11-19(12-8-16)30-22(23,24)25/h5-12,17H,3-4,13-14H2,1-2H3,(H,26,27)
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n/an/a 900n/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))
BDBM50144906
PNG
(CHEMBL3765160)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C22H27NO3/c1-4-18(22(25)26-5-2)14-17-10-12-19(13-11-17)21(24)23-15-20-9-7-6-8-16(20)3/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,24)
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n/an/a 900n/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))
BDBM50144894
PNG
(CHEMBL3765522)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H16F3NO3/c23-22(24,25)19-7-2-1-4-18(19)13-26-20(27)15-10-8-14(9-11-15)16-5-3-6-17(12-16)21(28)29/h1-12H,13H2,(H,26,27)(H,28,29)
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n/an/a 1.00E+3n/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))
BDBM50144890
PNG
(CHEMBL3764216)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H19F4NO3/c1-2-13(19(27)28)9-12-3-5-14(6-4-12)18(26)25-11-15-7-8-16(21)10-17(15)20(22,23)24/h3-8,10,13H,2,9,11H2,1H3,(H,25,26)(H,27,28)
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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 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))
BDBM50144884
PNG
(CHEMBL3764891)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C19H20ClNO3/c1-2-15(19(23)24)11-13-3-7-16(8-4-13)18(22)21-12-14-5-9-17(20)10-6-14/h3-10,15H,2,11-12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 1.50E+3n/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))
BDBM50144795
PNG
(CHEMBL3765141)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3NO3/c1-2-14(19(26)27)11-13-7-9-15(10-8-13)18(25)24-12-16-5-3-4-6-17(16)20(21,22)23/h3-10,14H,2,11-12H2,1H3,(H,24,25)(H,26,27)
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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 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))
BDBM50144910
PNG
(CHEMBL3764123)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO3/c1-3-17(21(25)26-4-2)13-15-5-9-18(10-6-15)20(24)23-14-16-7-11-19(22)12-8-16/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,24)
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n/an/a 1.70E+3n/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))
BDBM50144832
PNG
(CHEMBL3765360)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H24FNO3/c1-3-17(21(25)26-4-2)13-15-5-9-18(10-6-15)20(24)23-14-16-7-11-19(22)12-8-16/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,24)
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n/an/a 2.20E+3n/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))
BDBM50144803
PNG
(CHEMBL3764453)
Show SMILES OC(=O)C(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H20F3NO3/c25-24(26,27)21-9-5-4-8-19(21)15-28-22(29)18-12-10-16(11-13-18)14-20(23(30)31)17-6-2-1-3-7-17/h1-13,20H,14-15H2,(H,28,29)(H,30,31)
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n/an/a 2.50E+3n/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
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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n/an/a 3.60E+3n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144907
PNG
(CHEMBL3763549)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H24ClNO3/c1-3-16(21(25)26-4-2)13-15-9-11-17(12-10-15)20(24)23-14-18-7-5-6-8-19(18)22/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,24)
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n/an/a 3.80E+3n/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))
BDBM50144908
PNG
(CHEMBL3763225)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1Br
Show InChI InChI=1S/C21H24BrNO3/c1-3-16(21(25)26-4-2)13-15-9-11-17(12-10-15)20(24)23-14-18-7-5-6-8-19(18)22/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,24)
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n/an/a 4.00E+3n/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))
BDBM50144801
PNG
(CHEMBL3764948)
Show SMILES CCCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H22F3NO3/c1-2-5-16(20(27)28)12-14-8-10-15(11-9-14)19(26)25-13-17-6-3-4-7-18(17)21(22,23)24/h3-4,6-11,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,28)
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n/an/a 5.00E+3n/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))
BDBM50144895
PNG
(CHEMBL3764333)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C16H12F3N5O/c17-16(18,19)13-4-2-1-3-12(13)9-20-15(25)11-7-5-10(6-8-11)14-21-23-24-22-14/h1-8H,9H2,(H,20,25)(H,21,22,23,24)
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n/an/a 5.00E+3n/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))
BDBM50144905
PNG
(CHEMBL3765766)
Show SMILES OC(=O)C1CC1c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H16F3NO3/c20-19(21,22)16-4-2-1-3-13(16)10-23-17(24)12-7-5-11(6-8-12)14-9-15(14)18(25)26/h1-8,14-15H,9-10H2,(H,23,24)(H,25,26)
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n/an/a 5.50E+3n/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))
BDBM50144834
PNG
(CHEMBL3764102)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3NO3/c1-2-15(19(26)27)11-13-3-7-16(8-4-13)18(25)24-12-14-5-9-17(10-6-14)20(21,22)23/h3-10,15H,2,11-12H2,1H3,(H,24,25)(H,26,27)
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n/an/a 7.20E+3n/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))
BDBM50144799
PNG
(CHEMBL3764795)
Show SMILES CC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C19H18F3NO3/c1-12(18(25)26)10-13-6-8-14(9-7-13)17(24)23-11-15-4-2-3-5-16(15)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,26)
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n/an/a 8.00E+3n/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))
BDBM50144804
PNG
(CHEMBL3765347)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-3-18(21(24)25-4-2)14-16-10-12-19(13-11-16)20(23)22-15-17-8-6-5-7-9-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,22,23)
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n/an/a 8.50E+3n/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))
BDBM50144904
PNG
(CHEMBL3763787)
Show SMILES OC(=O)CCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H16F3NO3/c19-18(20,21)15-4-2-1-3-14(15)11-22-17(25)13-8-5-12(6-9-13)7-10-16(23)24/h1-6,8-9H,7,10-11H2,(H,22,25)(H,23,24)
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n/an/a 9.00E+3n/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))
BDBM50144886
PNG
(CHEMBL3764076)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO4/c1-2-20(25(28)29)16-18-8-12-21(13-9-18)24(27)26-17-19-10-14-23(15-11-19)30-22-6-4-3-5-7-22/h3-15,20H,2,16-17H2,1H3,(H,26,27)(H,28,29)
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n/an/a 1.20E+4n/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))
BDBM50144868
PNG
(CHEMBL3765763)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C20H20F3NO4/c1-2-15(19(26)27)11-13-3-7-16(8-4-13)18(25)24-12-14-5-9-17(10-6-14)28-20(21,22)23/h3-10,15H,2,11-12H2,1H3,(H,24,25)(H,26,27)
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n/an/a 1.40E+4n/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
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