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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'kigoshi' and Initial = 'h'   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445769
PNG
(CHEMBL3104615)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C24H24F5N3O3/c25-18-3-1-4-19(26)20(18)21(33)31-13-10-23(11-14-31)9-2-12-32(15-23)22(34)30-16-5-7-17(8-6-16)35-24(27,28)29/h1,3-8H,2,9-15H2,(H,30,34)
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n/an/a 0.125n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445752
PNG
(CHEMBL3104441)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34)
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n/an/a 0.400n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445751
PNG
(CHEMBL3104442)
Show SMILES COc1ccccc1CC(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H28F3N3O5/c1-34-21-5-3-2-4-18(21)16-22(32)30-12-10-24(11-13-30)17-31(14-15-35-24)23(33)29-19-6-8-20(9-7-19)36-25(26,27)28/h2-9H,10-17H2,1H3,(H,29,33)
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n/an/a 0.5n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445760
PNG
(CHEMBL3104432)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cnoc3C3CC3)C2)cc1
Show InChI InChI=1S/C23H25F3N4O5/c24-23(25,26)34-17-5-3-16(4-6-17)28-21(32)30-11-12-33-22(14-30)7-9-29(10-8-22)20(31)18-13-27-35-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,28,32)
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n/an/a 0.600n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445753
PNG
(CHEMBL3104440)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3CCCCC3)C2)cc1
Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
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n/an/a 0.600n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445758
PNG
(CHEMBL3104435)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cc(Cl)ccn3)C2)cc1
Show InChI InChI=1S/C22H22ClF3N4O4/c23-15-5-8-27-18(13-15)19(31)29-9-6-21(7-10-29)14-30(11-12-33-21)20(32)28-16-1-3-17(4-2-16)34-22(24,25)26/h1-5,8,13H,6-7,9-12,14H2,(H,28,32)
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n/an/a 0.600n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445770
PNG
(CHEMBL3104444)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F5N3O4/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-15-4-6-16(7-5-15)35-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 0.700n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445750
PNG
(CHEMBL3104443)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)Cc3ccccn3)C2)cc1
Show InChI InChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32)
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n/an/a 0.700n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445763
PNG
(CHEMBL3104622)
Show SMILES CC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O4/c1-17(33)29-21-5-3-2-4-20(21)22(34)31-12-10-24(11-13-31)16-32(14-15-36-24)23(35)30-19-8-6-18(7-9-19)25(26,27)28/h2-9H,10-16H2,1H3,(H,29,33)(H,30,35)
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n/an/a 0.800n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445757
PNG
(CHEMBL3104436)
Show SMILES Cc1cnc(cn1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
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n/an/a 0.900n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445764
PNG
(CHEMBL3104621)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 1n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445759
PNG
(CHEMBL3104433)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cn[nH]c3C3CC3)C2)cc1
Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-5-3-16(4-6-17)28-21(33)31-11-12-34-22(14-31)7-9-30(10-8-22)20(32)18-13-27-29-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,27,29)(H,28,33)
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n/an/a 1.10n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445768
PNG
(CHEMBL3102876)
Show SMILES Fc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H23F4N3O4/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-16-5-7-17(8-6-16)34-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 1.10n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445765
PNG
(CHEMBL3104620)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cccc(Cl)c3)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-3-1-2-16(14-18)20(31)29-10-8-22(9-11-29)15-30(12-13-33-22)21(32)28-19-6-4-17(5-7-19)23(25,26)27/h1-7,14H,8-13,15H2,(H,28,32)
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n/an/a 1.20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445767
PNG
(CHEMBL3104617)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 1.30n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445766
PNG
(CHEMBL3104619)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3Cl)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-17-7-5-16(6-8-17)23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 1.40n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445761
PNG
(CHEMBL3104431)
Show SMILES Cc1cc(no1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
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n/an/a 1.40n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445756
PNG
(CHEMBL3104437)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc4NC(=O)Cc4c3)C2)cc1
Show InChI InChI=1S/C25H25F3N4O5/c26-25(27,28)37-19-4-2-18(3-5-19)29-23(35)32-11-12-36-24(15-32)7-9-31(10-8-24)22(34)16-1-6-20-17(13-16)14-21(33)30-20/h1-6,13H,7-12,14-15H2,(H,29,35)(H,30,33)
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n/an/a 1.80n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445762
PNG
(CHEMBL3104623)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)C2)cc1
Show InChI InChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-7-20(8-6-19)29-22(33)31-13-14-34-23(16-31)9-11-30(12-10-23)21(32)18-3-1-17(15-28)2-4-18/h1-8H,9-14,16H2,(H,29,33)
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n/an/a 1.90n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445754
PNG
(CHEMBL3104439)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)CC3CC3)C2)cc1
Show InChI InChI=1S/C21H26F3N3O3/c22-21(23,24)16-3-5-17(6-4-16)25-19(29)27-11-12-30-20(14-27)7-9-26(10-8-20)18(28)13-15-1-2-15/h3-6,15H,1-2,7-14H2,(H,25,29)
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n/an/a 2.10n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445755
PNG
(CHEMBL3104438)
Show SMILES CC(C)(C)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H28F3N3O3/c1-19(2,3)17(28)26-10-8-20(9-11-26)14-27(12-13-30-20)18(29)25-16-6-4-15(5-7-16)21(22,23)24/h4-7H,8-14H2,1-3H3,(H,25,29)
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n/an/a 2.90n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445774
PNG
(CHEMBL3104616)
Show SMILES Fc1cccc(F)c1C(=O)N1CCCC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
Show InChI InChI=1S/C24H24F5N3O3/c25-18-3-1-4-19(26)20(18)21(33)32-12-2-9-23(15-32)10-13-31(14-11-23)22(34)30-16-5-7-17(8-6-16)35-24(27,28)29/h1,3-8H,2,9-15H2,(H,30,34)
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n/an/a 3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445773
PNG
(CHEMBL3104618)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3)C2)cc1
Show InChI InChI=1S/C23H24F3N3O3/c24-23(25,26)18-6-8-19(9-7-18)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,27,31)
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n/an/a 3.20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445769
PNG
(CHEMBL3104615)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C24H24F5N3O3/c25-18-3-1-4-19(26)20(18)21(33)31-13-10-23(11-14-31)9-2-12-32(15-23)22(34)30-16-5-7-17(8-6-16)35-24(27,28)29/h1,3-8H,2,9-15H2,(H,30,34)
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n/an/a 3.30n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445771
PNG
(CHEMBL3104434)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccn3)C2)cc1
Show InChI InChI=1S/C22H23F3N4O3/c23-22(24,25)16-4-6-17(7-5-16)27-20(31)29-13-14-32-21(15-29)8-11-28(12-9-21)19(30)18-3-1-2-10-26-18/h1-7,10H,8-9,11-15H2,(H,27,31)
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n/an/a 4.20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445775
PNG
(CHEMBL3104445)
Show SMILES Fc1cccc(F)c1C(=O)N1CCOC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
Show InChI InChI=1S/C23H22F5N3O4/c24-17-2-1-3-18(25)19(17)20(32)31-12-13-34-22(14-31)8-10-30(11-9-22)21(33)29-15-4-6-16(7-5-15)35-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 5.40n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445772
PNG
(CHEMBL3104430)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccco3)C2)cc1
Show InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)15-3-5-16(6-4-15)25-19(29)27-11-13-31-20(14-27)7-9-26(10-8-20)18(28)17-2-1-12-30-17/h1-6,12H,7-11,13-14H2,(H,25,29)
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n/an/a 5.40n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445763
PNG
(CHEMBL3104622)
Show SMILES CC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O4/c1-17(33)29-21-5-3-2-4-20(21)22(34)31-12-10-24(11-13-31)16-32(14-15-36-24)23(35)30-19-8-6-18(7-9-19)25(26,27)28/h2-9H,10-16H2,1H3,(H,29,33)(H,30,35)
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n/an/a 6.80n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445757
PNG
(CHEMBL3104436)
Show SMILES Cc1cnc(cn1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
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n/an/a 8.80n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445768
PNG
(CHEMBL3102876)
Show SMILES Fc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H23F4N3O4/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-16-5-7-17(8-6-16)34-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 9.30n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445755
PNG
(CHEMBL3104438)
Show SMILES CC(C)(C)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H28F3N3O3/c1-19(2,3)17(28)26-10-8-20(9-11-26)14-27(12-13-30-20)18(29)25-16-6-4-15(5-7-16)21(22,23)24/h4-7H,8-14H2,1-3H3,(H,25,29)
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n/an/a 12n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445758
PNG
(CHEMBL3104435)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cc(Cl)ccn3)C2)cc1
Show InChI InChI=1S/C22H22ClF3N4O4/c23-15-5-8-27-18(13-15)19(31)29-9-6-21(7-10-29)14-30(11-12-33-21)20(32)28-16-1-3-17(4-2-16)34-22(24,25)26/h1-5,8,13H,6-7,9-12,14H2,(H,28,32)
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n/an/a 12n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445766
PNG
(CHEMBL3104619)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3Cl)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-17-7-5-16(6-8-17)23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 13n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445762
PNG
(CHEMBL3104623)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)C2)cc1
Show InChI InChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-7-20(8-6-19)29-22(33)31-13-14-34-23(16-31)9-11-30(12-10-23)21(32)18-3-1-17(15-28)2-4-18/h1-8H,9-14,16H2,(H,29,33)
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n/an/a 15n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445753
PNG
(CHEMBL3104440)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3CCCCC3)C2)cc1
Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
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n/an/a 15n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445770
PNG
(CHEMBL3104444)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F5N3O4/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-15-4-6-16(7-5-15)35-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 19n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445767
PNG
(CHEMBL3104617)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 19n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445756
PNG
(CHEMBL3104437)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc4NC(=O)Cc4c3)C2)cc1
Show InChI InChI=1S/C25H25F3N4O5/c26-25(27,28)37-19-4-2-18(3-5-19)29-23(35)32-11-12-36-24(15-32)7-9-31(10-8-24)22(34)16-1-6-20-17(13-16)14-21(33)30-20/h1-6,13H,7-12,14-15H2,(H,29,35)(H,30,33)
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n/an/a>20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445750
PNG
(CHEMBL3104443)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)Cc3ccccn3)C2)cc1
Show InChI InChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32)
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n/an/a>20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445760
PNG
(CHEMBL3104432)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cnoc3C3CC3)C2)cc1
Show InChI InChI=1S/C23H25F3N4O5/c24-23(25,26)34-17-5-3-16(4-6-17)28-21(32)30-11-12-33-22(14-30)7-9-29(10-8-22)20(31)18-13-27-35-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,28,32)
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n/an/a 22n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445764
PNG
(CHEMBL3104621)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 25n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445761
PNG
(CHEMBL3104431)
Show SMILES Cc1cc(no1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
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n/an/a 26n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445752
PNG
(CHEMBL3104441)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34)
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n/an/a 28n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445754
PNG
(CHEMBL3104439)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)CC3CC3)C2)cc1
Show InChI InChI=1S/C21H26F3N3O3/c22-21(23,24)16-3-5-17(6-4-16)25-19(29)27-11-12-30-20(14-27)7-9-26(10-8-20)18(28)13-15-1-2-15/h3-6,15H,1-2,7-14H2,(H,25,29)
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n/an/a 31n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445765
PNG
(CHEMBL3104620)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cccc(Cl)c3)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-3-1-2-16(14-18)20(31)29-10-8-22(9-11-29)15-30(12-13-33-22)21(32)28-19-6-4-17(5-7-19)23(25,26)27/h1-7,14H,8-13,15H2,(H,28,32)
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n/an/a 37n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445751
PNG
(CHEMBL3104442)
Show SMILES COc1ccccc1CC(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H28F3N3O5/c1-34-21-5-3-2-4-18(21)16-22(32)30-12-10-24(11-13-30)17-31(14-15-35-24)23(33)29-19-6-8-20(9-7-19)36-25(26,27)28/h2-9H,10-17H2,1H3,(H,29,33)
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n/an/a 72n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50445759
PNG
(CHEMBL3104433)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cn[nH]c3C3CC3)C2)cc1
Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-5-3-16(4-6-17)28-21(33)31-11-12-34-22(14-31)7-9-30(10-8-22)20(32)18-13-27-29-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,27,29)(H,28,33)
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n/an/a 97n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50169546
PNG
(CHEMBL3805693)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C20H18N6O2/c21-20-22-16(12-18-23-19(24-26(18)20)17-5-2-10-28-17)13-3-1-4-14(11-13)25-8-6-15(27)7-9-25/h1-5,10-12H,6-9H2,(H2,21,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50169547
PNG
(CHEMBL3805044)
Show SMILES [H][C@]12C[C@@H](O)[C@H](CCCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C23H25N7O3/c1-15(2)33-23(31)29-10-8-28(9-11-29)17-6-3-5-16(13-17)18-14-20-26-21(19-7-4-12-32-19)27-30(20)22(24)25-18/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\CCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
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