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PubMed code 26507430

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129699
PNG
(CHEMBL3628776)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C27H44N3O4P/c1-6-33-35(32,34-7-2)24(26(3,4)5)29-23-10-8-19(9-11-23)18-28-25(31)30-27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,24,29H,6-7,12-18H2,1-5H3,(H2,28,30,31)
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n/an/a 0.960n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129697
PNG
(CHEMBL3628778)
Show SMILES CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:28:23:30:27.26.29,28:27:30:24.23.22,THB:26:25:22:28.27.29,26:27:24.25.30:22|
Show InChI InChI=1S/C29H48N3O4P/c1-19(2)35-37(34,36-20(3)4)26(28(5,6)7)31-25-10-8-21(9-11-25)18-30-27(33)32-29-15-22-12-23(16-29)14-24(13-22)17-29/h8-11,19-20,22-24,26,31H,12-18H2,1-7H3,(H2,30,32,33)
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n/an/a 1.70n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129695
PNG
(CHEMBL3628780)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:30:25:32:29.28.31,30:29:32:26.25.24,THB:28:27:24:30.29.31,28:29:26.27.32:24|
Show InChI InChI=1S/C31H52N3O4P/c1-21(2)19-37-39(36,38-20-22(3)4)28(30(5,6)7)33-27-10-8-23(9-11-27)18-32-29(35)34-31-15-24-12-25(16-31)14-26(13-24)17-31/h8-11,21-22,24-26,28,33H,12-20H2,1-7H3,(H2,32,34,35)
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n/an/a 1.80n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129686
PNG
(CHEMBL3629068)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)30-24-10-8-20(9-11-24)19-29-25(31)18-28-15-21-12-22(16-28)14-23(13-21)17-28/h8-11,21-23,26,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 1.90n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129694
PNG
(CHEMBL3628781)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
Show InChI InChI=1S/C37H48N3O4P/c1-36(2,3)34(45(42,43-25-28-10-6-4-7-11-28)44-26-29-12-8-5-9-13-29)39-33-16-14-27(15-17-33)24-38-35(41)40-37-21-30-18-31(22-37)20-32(19-30)23-37/h4-17,30-32,34,39H,18-26H2,1-3H3,(H2,38,40,41)
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n/an/a 2.60n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129696
PNG
(CHEMBL3628779)
Show SMILES CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:30:25:32:29.28.31,30:29:32:26.25.24,THB:28:27:24:30.29.31,28:29:26.27.32:24|
Show InChI InChI=1S/C31H52N3O4P/c1-6-8-14-37-39(36,38-15-9-7-2)28(30(3,4)5)33-27-12-10-23(11-13-27)22-32-29(35)34-31-19-24-16-25(20-31)18-26(17-24)21-31/h10-13,24-26,28,33H,6-9,14-22H2,1-5H3,(H2,32,34,35)
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n/an/a 3n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129691
PNG
(CHEMBL3629063)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCc3ccccc3C2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H39N2O4P/c1-6-32-34(31,33-7-2)26(27(3,4)5)29-24-16-12-20(13-17-24)19-28-25(30)23-15-14-21-10-8-9-11-22(21)18-23/h8-13,16-17,23,26,29H,6-7,14-15,18-19H2,1-5H3,(H,28,30)
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n/an/a 3n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129654
PNG
(CHEMBL3629069)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1)C(C)(C)C
Show InChI InChI=1S/C28H37N2O4P/c1-6-33-35(32,34-7-2)27(28(3,4)5)30-25-16-13-21(14-17-25)20-29-26(31)19-22-12-15-23-10-8-9-11-24(23)18-22/h8-18,27,30H,6-7,19-20H2,1-5H3,(H,29,31)
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n/an/a 3.40n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129698
PNG
(CHEMBL3628777)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
Show InChI InChI=1S/C27H38F6N3O4P/c1-24(2,3)22(41(38,39-15-26(28,29)30)40-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-23(37)36-25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,22,35H,8-16H2,1-3H3,(H2,34,36,37)
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n/an/a 3.80n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129706
PNG
(CHEMBL3628769)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C27H43N2O4P/c1-6-32-34(31,33-7-2)25(26(3,4)5)29-23-10-8-19(9-11-23)18-28-24(30)27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,25,29H,6-7,12-18H2,1-5H3,(H,28,30)
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n/an/a 5.10n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129703
PNG
(CHEMBL3628772)
Show SMILES CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:27:22:29:26.25.28,27:26:29:23.22.21,THB:18:20:23.22.27:25,21:20:23.22.27:25,21:22:25:20.29.28|
Show InChI InChI=1S/C29H47N2O4P/c1-19(2)34-36(33,35-20(3)4)27(28(5,6)7)31-25-10-8-21(9-11-25)18-30-26(32)29-15-22-12-23(16-29)14-24(13-22)17-29/h8-11,19-20,22-24,27,31H,12-18H2,1-7H3,(H,30,32)
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n/an/a 6.70n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129688
PNG
(CHEMBL3629066)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)30-24-10-8-20(9-11-24)12-13-29-25(31)28-17-21-14-22(18-28)16-23(15-21)19-28/h8-11,21-23,26,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 8.20n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129701
PNG
(CHEMBL3628774)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:20:22:25.24.29:27,23:22:25.24.29:27,23:24:27:22.31.30|
Show InChI InChI=1S/C31H51N2O4P/c1-21(2)19-36-38(35,37-20-22(3)4)29(30(5,6)7)33-27-10-8-23(9-11-27)18-32-28(34)31-15-24-12-25(16-31)14-26(13-24)17-31/h8-11,21-22,24-26,29,33H,12-20H2,1-7H3,(H,32,34)
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n/an/a 16n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129690
PNG
(CHEMBL3629064)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)c2ccc3cc(O)ccc3c2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N2O5P/c1-6-33-35(32,34-7-2)26(27(3,4)5)29-23-13-8-19(9-14-23)18-28-25(31)22-11-10-21-17-24(30)15-12-20(21)16-22/h8-17,26,29-30H,6-7,18H2,1-5H3,(H,28,31)
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n/an/a 17n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129709
PNG
(CHEMBL3628766)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CC1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C26H39N2O4P/c1-3-31-33(30,32-4-2)24(22-7-8-22)28-23-9-5-18(6-10-23)17-27-25(29)26-14-19-11-20(15-26)13-21(12-19)16-26/h5-6,9-10,19-22,24,28H,3-4,7-8,11-17H2,1-2H3,(H,27,29)
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n/an/a 21n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129693
PNG
(CHEMBL3628782)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCCCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C23H39N2O4P/c1-6-28-30(27,29-7-2)22(23(3,4)5)25-20-15-13-18(14-16-20)17-24-21(26)19-11-9-8-10-12-19/h13-16,19,22,25H,6-12,17H2,1-5H3,(H,24,26)
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n/an/a 23n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129692
PNG
(CHEMBL3628783)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C24H32F3N2O5P/c1-6-32-35(31,33-7-2)22(23(3,4)5)29-19-12-8-17(9-13-19)16-28-21(30)18-10-14-20(15-11-18)34-24(25,26)27/h8-15,22,29H,6-7,16H2,1-5H3,(H,28,30)
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n/an/a 24n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129702
PNG
(CHEMBL3628773)
Show SMILES CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:20:22:25.24.29:27,23:22:25.24.29:27,23:24:27:22.31.30|
Show InChI InChI=1S/C31H51N2O4P/c1-6-8-14-36-38(35,37-15-9-7-2)29(30(3,4)5)33-27-12-10-23(11-13-27)22-32-28(34)31-19-24-16-25(20-31)18-26(17-24)21-31/h10-13,24-26,29,33H,6-9,14-22H2,1-5H3,(H,32,34)
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n/an/a 26n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129704
PNG
(CHEMBL3628771)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F |TLB:21:16:23:20.19.22,21:20:23:17.16.15,THB:12:14:17.16.21:19,15:14:17.16.21:19,15:16:19:14.23.22|
Show InChI InChI=1S/C27H37F6N2O4P/c1-24(2,3)23(40(37,38-15-26(28,29)30)39-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-22(36)25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,23,35H,8-16H2,1-3H3,(H,34,36)
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n/an/a 30n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129689
PNG
(CHEMBL3629065)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C26H41N2O4P/c1-6-31-33(30,32-7-2)24(25(3,4)5)28-22-10-8-21(9-11-22)27-23(29)26-15-18-12-19(16-26)14-20(13-18)17-26/h8-11,18-20,24,28H,6-7,12-17H2,1-5H3,(H,27,29)
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n/an/a 37n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129705
PNG
(CHEMBL3628770)
Show SMILES CCOP(=O)(OCC)C(CC(C)(C)C)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:25:32:29.28.31,30:29:32:26.25.24,THB:21:23:26.25.30:28,24:23:26.25.30:28,24:25:28:23.32.31|
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)25(18-27(3,4)5)30-24-10-8-20(9-11-24)19-29-26(31)28-15-21-12-22(16-28)14-23(13-21)17-28/h8-11,21-23,25,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 41n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129700
PNG
(CHEMBL3628775)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1 |TLB:21:16:23:20.19.22,21:20:23:17.16.15,THB:12:14:17.16.21:19,15:14:17.16.21:19,15:16:19:14.23.22|
Show InChI InChI=1S/C37H47N2O4P/c1-36(2,3)35(44(41,42-25-28-10-6-4-7-11-28)43-26-29-12-8-5-9-13-29)39-33-16-14-27(15-17-33)24-38-34(40)37-21-30-18-31(22-37)20-32(19-30)23-37/h4-17,30-32,35,39H,18-26H2,1-3H3,(H,38,40)
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n/an/a 42n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129687
PNG
(CHEMBL3629067)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)29-24-11-8-20(9-12-24)10-13-25(31)30-28-17-21-14-22(18-28)16-23(15-21)19-28/h8-9,11-12,21-23,26,29H,6-7,10,13-19H2,1-5H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129737
PNG
(CHEMBL3628409)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C29H39N2O4P/c1-3-34-36(33,35-4-2)27(25-8-6-5-7-9-25)31-26-12-10-21(11-13-26)20-30-28(32)29-17-22-14-23(18-29)16-24(15-22)19-29/h5-13,22-24,27,31H,3-4,14-20H2,1-2H3,(H,30,32)
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n/an/a 45n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129708
PNG
(CHEMBL3628767)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C29H45N2O4P/c1-3-34-36(33,35-4-2)27(25-8-6-5-7-9-25)31-26-12-10-21(11-13-26)20-30-28(32)29-17-22-14-23(18-29)16-24(15-22)19-29/h10-13,22-25,27,31H,3-9,14-20H2,1-2H3,(H,30,32)
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n/an/a 46n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129707
PNG
(CHEMBL3628768)
Show SMILES CCCC(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC)OCC |TLB:20:15:22:19.18.21,20:19:22:16.15.14,THB:11:13:16.15.20:18,14:13:16.15.20:18,14:15:18:13.22.21|
Show InChI InChI=1S/C26H41N2O4P/c1-4-7-24(33(30,31-5-2)32-6-3)28-23-10-8-19(9-11-23)18-27-25(29)26-15-20-12-21(16-26)14-22(13-20)17-26/h8-11,20-22,24,28H,4-7,12-18H2,1-3H3,(H,27,29)
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n/an/a 58n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129711
PNG
(CHEMBL3628764)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)c1ccccc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C30H39N2O5P/c1-3-36-38(35,37-4-2)28(27(33)25-8-6-5-7-9-25)32-26-12-10-21(11-13-26)20-31-29(34)30-17-22-14-23(18-30)16-24(15-22)19-30/h5-13,22-24,28,32H,3-4,14-20H2,1-2H3,(H,31,34)
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n/an/a 69n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129713
PNG
(CHEMBL3628415)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C#N |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C30H38N3O4P/c1-3-36-38(35,37-4-2)28(26-9-5-21(19-31)6-10-26)33-27-11-7-22(8-12-27)20-32-29(34)30-16-23-13-24(17-30)15-25(14-23)18-30/h5-12,23-25,28,33H,3-4,13-18,20H2,1-2H3,(H,32,34)
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n/an/a 108n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129714
PNG
(CHEMBL3628414)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C29H38FN2O4P/c1-3-35-37(34,36-4-2)27(24-7-9-25(30)10-8-24)32-26-11-5-20(6-12-26)19-31-28(33)29-16-21-13-22(17-29)15-23(14-21)18-29/h5-12,21-23,27,32H,3-4,13-19H2,1-2H3,(H,31,33)
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n/an/a 120n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129736
PNG
(CHEMBL3628410)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C)cc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C30H41N2O4P/c1-4-35-37(34,36-5-2)28(26-10-6-21(3)7-11-26)32-27-12-8-22(9-13-27)20-31-29(33)30-17-23-14-24(18-30)16-25(15-23)19-30/h6-13,23-25,28,32H,4-5,14-20H2,1-3H3,(H,31,33)
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n/an/a 130n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129712
PNG
(CHEMBL3628416)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C28H38N3O4P/c1-3-34-36(33,35-4-2)26(24-9-11-29-12-10-24)31-25-7-5-20(6-8-25)19-30-27(32)28-16-21-13-22(17-28)15-23(14-21)18-28/h5-12,21-23,26,31H,3-4,13-19H2,1-2H3,(H,30,32)
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n/an/a 185n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129710
PNG
(CHEMBL3628765)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C33H41N2O4P/c1-3-38-40(37,39-4-2)31(29-12-11-27-7-5-6-8-28(27)18-29)35-30-13-9-23(10-14-30)22-34-32(36)33-19-24-15-25(20-33)17-26(16-24)21-33/h5-14,18,24-26,31,35H,3-4,15-17,19-22H2,1-2H3,(H,34,36)
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n/an/a 186n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129735
PNG
(CHEMBL3628411)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(C)(C)C |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C33H47N2O4P/c1-6-38-40(37,39-7-2)30(27-10-12-28(13-11-27)32(3,4)5)35-29-14-8-23(9-15-29)22-34-31(36)33-19-24-16-25(20-33)18-26(17-24)21-33/h8-15,24-26,30,35H,6-7,16-22H2,1-5H3,(H,34,36)
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n/an/a 192n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129734
PNG
(CHEMBL3628412)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OC)cc1 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C30H41N2O5P/c1-4-36-38(34,37-5-2)28(25-8-12-27(35-3)13-9-25)32-26-10-6-21(7-11-26)20-31-29(33)30-17-22-14-23(18-30)16-24(15-22)19-30/h6-13,22-24,28,32H,4-5,14-20H2,1-3H3,(H,31,33)
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n/an/a 199n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129715
PNG
(CHEMBL3628413)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(=O)OC |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:16:18:21.20.25:23,19:18:21.20.25:23,19:20:23:18.27.26|
Show InChI InChI=1S/C31H41N2O6P/c1-4-38-40(36,39-5-2)28(25-8-10-26(11-9-25)29(34)37-3)33-27-12-6-21(7-13-27)20-32-30(35)31-17-22-14-23(18-31)16-24(15-22)19-31/h6-13,22-24,28,33H,4-5,14-20H2,1-3H3,(H,32,35)
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n/an/a 230n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50129595
PNG
(CHEMBL3629070)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C27H42NO5P/c1-6-32-34(30,33-7-2)24(26(3,4)5)28-23-10-8-19(9-11-23)18-31-25(29)27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,24,28H,6-7,12-18H2,1-5H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...

Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%