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PubMed code 17046265

Compile data set for download or QSAR
Found 66 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))		BDBM50196664
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid sec-b...)
Show SMILES CCC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-3-21(2)32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)
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n/an/a 0.700n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196661
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...)
Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)
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n/an/a 0.800n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196654
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid propy...)
Show SMILES CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H46N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h21-23H,2-20H2,1H3,(H2,27,28,30)
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n/an/a 1n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196655
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid allyl...)
Show SMILES C=CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H44N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h2,21-23H,1,3-20H2,(H2,27,28,30)
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n/an/a 1n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196649
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...)
Show SMILES CC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H46N2O3/c1-20(2)31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H2,27,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196660
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isobu...)
Show SMILES CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-21(2)20-32-25(30)12-10-8-6-4-3-5-7-9-11-13-28-26(31)29-27-17-22-14-23(18-27)16-24(15-22)19-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)
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n/an/a 1.20n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196658
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid tert-...)
Show SMILES CC(C)(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-26(2,3)32-24(30)13-11-9-7-5-4-6-8-10-12-14-28-25(31)29-27-18-21-15-22(19-27)17-23(16-21)20-27/h21-23H,4-20H2,1-3H3,(H2,28,29,31)
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n/an/a 1.30n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196656
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid adama...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,27:28:31:35.34.33,THB:25:17:20:24.23.22,25:23:20:26.18.17,29:30:33:37.28.36,29:28:31.30.35:33,36:28:31:35.34.33,36:34:31:37.29.28,18:19:22:26.17.25,18:17:20.19.24:22|
Show InChI InChI=1S/C33H54N2O3/c36-30(38-33-21-27-15-28(22-33)17-29(16-27)23-33)10-8-6-4-2-1-3-5-7-9-11-34-31(37)35-32-18-24-12-25(19-32)14-26(13-24)20-32/h24-29H,1-23H2,(H2,34,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196653
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid ethyl...)
Show SMILES CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C25H44N2O3/c1-2-30-23(28)12-10-8-6-4-3-5-7-9-11-13-26-24(29)27-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3,(H2,26,27,29)
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n/an/a 1.60n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196657
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid 2-chl...)
Show SMILES Clc1ccccc1COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C30H45ClN2O3/c31-27-13-10-9-12-26(27)22-36-28(34)14-8-6-4-2-1-3-5-7-11-15-32-29(35)33-30-19-23-16-24(20-30)18-25(17-23)21-30/h9-10,12-13,23-25H,1-8,11,14-22H2,(H2,32,33,35)
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n/an/a 1.70n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196651
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid prop-...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCC#C |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C26H42N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h1,21-23H,3-20H2,(H2,27,28,30)
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n/an/a 1.80n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196668
PNG
(CHEMBL438838 | N-[12-(3-adamantan-1-yl-ureido)-dod...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C29H45N3O4S/c33-27(32-37(35,36)26-13-9-8-10-14-26)15-11-6-4-2-1-3-5-7-12-16-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h8-10,13-14,23-25H,1-7,11-12,15-22H2,(H,32,33)(H2,30,31,34)
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n/an/a 1.90n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196652
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid benzy...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C30H46N2O3/c33-28(35-23-24-13-9-8-10-14-24)15-11-6-4-2-1-3-5-7-12-16-31-29(34)32-30-20-25-17-26(21-30)19-27(18-25)22-30/h8-10,13-14,25-27H,1-7,11-12,15-23H2,(H2,31,32,34)
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n/an/a 2n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196666
PNG
(CHEMBL390293 | N-[12-(3-adamantan-1-yl-ureido)-dod...)
Show SMILES CS(=O)(=O)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C24H43N3O4S/c1-32(30,31)27-22(28)11-9-7-5-3-2-4-6-8-10-12-25-23(29)26-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,2-18H2,1H3,(H,27,28)(H2,25,26,29)
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n/an/a 2.10n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196659
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid methy...)
Show SMILES COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C24H42N2O3/c1-29-22(27)11-9-7-5-3-2-4-6-8-10-12-25-23(28)26-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,2-18H2,1H3,(H2,25,26,28)
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n/an/a 2.30n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196663
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid napht...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1cccc2ccccc12 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C34H48N2O3/c37-32(39-25-30-15-12-14-29-13-9-10-16-31(29)30)17-8-6-4-2-1-3-5-7-11-18-35-33(38)36-34-22-26-19-27(23-34)21-28(20-26)24-34/h9-10,12-16,26-28H,1-8,11,17-25H2,(H2,35,36,38)
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n/an/a 2.40n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196667
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...)
Show SMILES CC(C)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H47N3O2/c1-20(2)28-24(30)12-10-8-6-4-3-5-7-9-11-13-27-25(31)29-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H,28,30)(H2,27,29,31)
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n/an/a 2.90n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 3.20n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196665
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid ethyl...)
Show SMILES CCNC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C25H45N3O2/c1-2-26-23(29)12-10-8-6-4-3-5-7-9-11-13-27-24(30)28-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3,(H,26,29)(H2,27,28,30)
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n/an/a 4.30n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196662
PNG
(12-(3-adamantan-1-yl-ureido)decanoic acid[1-(2,3,4...)
Show SMILES CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C38H68N4O8/c1-2-3-4-10-13-16-29(35(48)41-36-34(47)33(46)32(45)30(25-43)50-36)40-31(44)17-14-11-8-6-5-7-9-12-15-18-39-37(49)42-38-22-26-19-27(23-38)21-28(20-26)24-38/h26-30,32-34,36,43,45-47H,2-25H2,1H3,(H,40,44)(H,41,48)(H2,39,42,49)/t26?,27?,28?,29?,30-,32-,33+,34-,36-,38?/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196648
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S...)
Show SMILES OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C31H54N4O8/c36-19-23-26(39)27(40)28(41)29(43-23)34-25(38)18-33-24(37)10-8-6-4-2-1-3-5-7-9-11-32-30(42)35-31-15-20-12-21(16-31)14-22(13-20)17-31/h20-23,26-29,36,39-41H,1-19H2,(H,33,37)(H,34,38)(H2,32,35,42)/t20?,21?,22?,23-,26-,27+,28-,29-,31?/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196662
PNG
(12-(3-adamantan-1-yl-ureido)decanoic acid[1-(2,3,4...)
Show SMILES CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C38H68N4O8/c1-2-3-4-10-13-16-29(35(48)41-36-34(47)33(46)32(45)30(25-43)50-36)40-31(44)17-14-11-8-6-5-7-9-12-15-18-39-37(49)42-38-22-26-19-27(23-38)21-28(20-26)24-38/h26-30,32-34,36,43,45-47H,2-25H2,1H3,(H,40,44)(H,41,48)(H2,39,42,49)/t26?,27?,28?,29?,30-,32-,33+,34-,36-,38?/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196657
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid 2-chl...)
Show SMILES Clc1ccccc1COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C30H45ClN2O3/c31-27-13-10-9-12-26(27)22-36-28(34)14-8-6-4-2-1-3-5-7-11-15-32-29(35)33-30-19-23-16-24(20-30)18-25(17-23)21-30/h9-10,12-13,23-25H,1-8,11,14-22H2,(H2,32,33,35)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196666
PNG
(CHEMBL390293 | N-[12-(3-adamantan-1-yl-ureido)-dod...)
Show SMILES CS(=O)(=O)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C24H43N3O4S/c1-32(30,31)27-22(28)11-9-7-5-3-2-4-6-8-10-12-25-23(29)26-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,2-18H2,1H3,(H,27,28)(H2,25,26,29)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196658
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid tert-...)
Show SMILES CC(C)(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-26(2,3)32-24(30)13-11-9-7-5-4-6-8-10-12-14-28-25(31)29-27-18-21-15-22(19-27)17-23(16-21)20-27/h21-23H,4-20H2,1-3H3,(H2,28,29,31)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196661
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...)
Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196656
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid adama...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,27:28:31:35.34.33,THB:25:17:20:24.23.22,25:23:20:26.18.17,29:30:33:37.28.36,29:28:31.30.35:33,36:28:31:35.34.33,36:34:31:37.29.28,18:19:22:26.17.25,18:17:20.19.24:22|
Show InChI InChI=1S/C33H54N2O3/c36-30(38-33-21-27-15-28(22-33)17-29(16-27)23-33)10-8-6-4-2-1-3-5-7-9-11-34-31(37)35-32-18-24-12-25(19-32)14-26(13-24)20-32/h24-29H,1-23H2,(H2,34,35,37)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196668
PNG
(CHEMBL438838 | N-[12-(3-adamantan-1-yl-ureido)-dod...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C29H45N3O4S/c33-27(32-37(35,36)26-13-9-8-10-14-26)15-11-6-4-2-1-3-5-7-12-16-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h8-10,13-14,23-25H,1-7,11-12,15-22H2,(H,32,33)(H2,30,31,34)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196653
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid ethyl...)
Show SMILES CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C25H44N2O3/c1-2-30-23(28)12-10-8-6-4-3-5-7-9-11-13-26-24(29)27-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3,(H2,26,27,29)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196654
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid propy...)
Show SMILES CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H46N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h21-23H,2-20H2,1H3,(H2,27,28,30)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196667
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...)
Show SMILES CC(C)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H47N3O2/c1-20(2)28-24(30)12-10-8-6-4-3-5-7-9-11-13-27-25(31)29-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H,28,30)(H2,27,29,31)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196649
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...)
Show SMILES CC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H46N2O3/c1-20(2)31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H2,27,28,30)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196648
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S...)
Show SMILES OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C31H54N4O8/c36-19-23-26(39)27(40)28(41)29(43-23)34-25(38)18-33-24(37)10-8-6-4-2-1-3-5-7-9-11-32-30(42)35-31-15-20-12-21(16-31)14-22(13-20)17-31/h20-23,26-29,36,39-41H,1-19H2,(H,33,37)(H,34,38)(H2,32,35,42)/t20?,21?,22?,23-,26-,27+,28-,29-,31?/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196651
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid prop-...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCC#C |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C26H42N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h1,21-23H,3-20H2,(H2,27,28,30)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196665
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid ethyl...)
Show SMILES CCNC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C25H45N3O2/c1-2-26-23(29)12-10-8-6-4-3-5-7-9-11-13-27-24(30)28-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3,(H,26,29)(H2,27,28,30)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196664
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid sec-b...)
Show SMILES CCC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-3-21(2)32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196659
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid methy...)
Show SMILES COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C24H42N2O3/c1-29-22(27)11-9-7-5-3-2-4-6-8-10-12-25-23(28)26-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,2-18H2,1H3,(H2,25,26,28)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196655
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid allyl...)
Show SMILES C=CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H44N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h2,21-23H,1,3-20H2,(H2,27,28,30)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196650
PNG
(2-[12-(3-adamantan-1-yl-ureido)-dodecanoylamino]-d...)
Show SMILES CCCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C33H59N3O4/c1-2-3-4-5-11-14-17-29(31(38)39)35-30(37)18-15-12-9-7-6-8-10-13-16-19-34-32(40)36-33-23-26-20-27(24-33)22-28(21-26)25-33/h26-29H,2-25H2,1H3,(H,35,37)(H,38,39)(H2,34,36,40)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196660
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isobu...)
Show SMILES CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-21(2)20-32-25(30)12-10-8-6-4-3-5-7-9-11-13-28-26(31)29-27-17-22-14-23(18-27)16-24(15-22)19-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)
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n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196650
PNG
(2-[12-(3-adamantan-1-yl-ureido)-dodecanoylamino]-d...)
Show SMILES CCCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C33H59N3O4/c1-2-3-4-5-11-14-17-29(31(38)39)35-30(37)18-15-12-9-7-6-8-10-13-16-19-34-32(40)36-33-23-26-20-27(24-33)22-28(21-26)25-33/h26-29H,2-25H2,1H3,(H,35,37)(H,38,39)(H2,34,36,40)
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n/an/a 55n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196652
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid benzy...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C30H46N2O3/c33-28(35-23-24-13-9-8-10-14-24)15-11-6-4-2-1-3-5-7-12-16-31-29(34)32-30-20-25-17-26(21-30)19-27(18-25)22-30/h8-10,13-14,25-27H,1-7,11-12,15-23H2,(H2,31,32,34)
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n/an/a 70n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50196663
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid napht...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1cccc2ccccc12 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C34H48N2O3/c37-32(39-25-30-15-12-14-29-13-9-10-16-31(29)30)17-8-6-4-2-1-3-5-7-11-18-35-33(38)36-34-22-26-19-27(23-34)21-28(20-26)24-34/h9-10,12-16,26-28H,1-8,11,17-25H2,(H2,35,36,38)
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n/an/a 90n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196655
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid allyl...)
Show SMILES C=CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H44N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h2,21-23H,1,3-20H2,(H2,27,28,30)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196659
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid methy...)
Show SMILES COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C24H42N2O3/c1-29-22(27)11-9-7-5-3-2-4-6-8-10-12-25-23(28)26-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,2-18H2,1H3,(H2,25,26,28)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196665
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid ethyl...)
Show SMILES CCNC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C25H45N3O2/c1-2-26-23(29)12-10-8-6-4-3-5-7-9-11-13-27-24(30)28-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3,(H,26,29)(H2,27,28,30)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196653
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid ethyl...)
Show SMILES CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C25H44N2O3/c1-2-30-23(28)12-10-8-6-4-3-5-7-9-11-13-26-24(29)27-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3,(H2,26,27,29)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196651
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid prop-...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCC#C |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C26H42N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h1,21-23H,3-20H2,(H2,27,28,30)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196649
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...)
Show SMILES CC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H46N2O3/c1-20(2)31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H2,27,28,30)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196664
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid sec-b...)
Show SMILES CCC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-3-21(2)32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-18-22-15-23(19-27)17-24(16-22)20-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196654
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid propy...)
Show SMILES CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H46N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h21-23H,2-20H2,1H3,(H2,27,28,30)
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Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196662
PNG
(12-(3-adamantan-1-yl-ureido)decanoic acid[1-(2,3,4...)
Show SMILES CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C38H68N4O8/c1-2-3-4-10-13-16-29(35(48)41-36-34(47)33(46)32(45)30(25-43)50-36)40-31(44)17-14-11-8-6-5-7-9-12-15-18-39-37(49)42-38-22-26-19-27(23-38)21-28(20-26)24-38/h26-30,32-34,36,43,45-47H,2-25H2,1H3,(H,40,44)(H,41,48)(H2,39,42,49)/t26?,27?,28?,29?,30-,32-,33+,34-,36-,38?/m0/s1
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Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196658
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid tert-...)
Show SMILES CC(C)(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-26(2,3)32-24(30)13-11-9-7-5-4-6-8-10-12-14-28-25(31)29-27-18-21-15-22(19-27)17-23(16-21)20-27/h21-23H,4-20H2,1-3H3,(H2,28,29,31)
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Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196667
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopr...)
Show SMILES CC(C)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Show InChI InChI=1S/C26H47N3O2/c1-20(2)28-24(30)12-10-8-6-4-3-5-7-9-11-13-27-25(31)29-26-17-21-14-22(18-26)16-23(15-21)19-26/h20-23H,3-19H2,1-2H3,(H,28,30)(H2,27,29,31)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196660
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid isobu...)
Show SMILES CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-21(2)20-32-25(30)12-10-8-6-4-3-5-7-9-11-13-28-26(31)29-27-17-22-14-23(18-27)16-24(15-22)19-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196668
PNG
(CHEMBL438838 | N-[12-(3-adamantan-1-yl-ureido)-dod...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C29H45N3O4S/c33-27(32-37(35,36)26-13-9-8-10-14-26)15-11-6-4-2-1-3-5-7-12-16-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h8-10,13-14,23-25H,1-7,11-12,15-22H2,(H,32,33)(H2,30,31,34)
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Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196661
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...)
Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)
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n/an/a 100n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196666
PNG
(CHEMBL390293 | N-[12-(3-adamantan-1-yl-ureido)-dod...)
Show SMILES CS(=O)(=O)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C24H43N3O4S/c1-32(30,31)27-22(28)11-9-7-5-3-2-4-6-8-10-12-25-23(29)26-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,2-18H2,1H3,(H,27,28)(H2,25,26,29)
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Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196652
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid benzy...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1ccccc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C30H46N2O3/c33-28(35-23-24-13-9-8-10-14-24)15-11-6-4-2-1-3-5-7-12-16-31-29(34)32-30-20-25-17-26(21-30)19-27(18-25)22-30/h8-10,13-14,25-27H,1-7,11-12,15-23H2,(H2,31,32,34)
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n/an/a 130n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196650
PNG
(2-[12-(3-adamantan-1-yl-ureido)-dodecanoylamino]-d...)
Show SMILES CCCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C33H59N3O4/c1-2-3-4-5-11-14-17-29(31(38)39)35-30(37)18-15-12-9-7-6-8-10-13-16-19-34-32(40)36-33-23-26-20-27(24-33)22-28(21-26)25-33/h26-29H,2-25H2,1H3,(H,35,37)(H,38,39)(H2,34,36,40)
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n/an/a 210n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196663
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid napht...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCc1cccc2ccccc12 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C34H48N2O3/c37-32(39-25-30-15-12-14-29-13-9-10-16-31(29)30)17-8-6-4-2-1-3-5-7-11-18-35-33(38)36-34-22-26-19-27(23-34)21-28(20-26)24-34/h9-10,12-16,26-28H,1-8,11,17-25H2,(H2,35,36,38)
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n/an/a 210n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196648
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S...)
Show SMILES OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C31H54N4O8/c36-19-23-26(39)27(40)28(41)29(43-23)34-25(38)18-33-24(37)10-8-6-4-2-1-3-5-7-9-11-32-30(42)35-31-15-20-12-21(16-31)14-22(13-20)17-31/h20-23,26-29,36,39-41H,1-19H2,(H,33,37)(H,34,38)(H2,32,35,42)/t20?,21?,22?,23-,26-,27+,28-,29-,31?/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196656
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid adama...)
Show SMILES O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,27:28:31:35.34.33,THB:25:17:20:24.23.22,25:23:20:26.18.17,29:30:33:37.28.36,29:28:31.30.35:33,36:28:31:35.34.33,36:34:31:37.29.28,18:19:22:26.17.25,18:17:20.19.24:22|
Show InChI InChI=1S/C33H54N2O3/c36-30(38-33-21-27-15-28(22-33)17-29(16-27)23-33)10-8-6-4-2-1-3-5-7-9-11-34-31(37)35-32-18-24-12-25(19-32)14-26(13-24)20-32/h24-29H,1-23H2,(H2,34,35,37)
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n/an/a 230n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50196657
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid 2-chl...)
Show SMILES Clc1ccccc1COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C30H45ClN2O3/c31-27-13-10-9-12-26(27)22-36-28(34)14-8-6-4-2-1-3-5-7-11-15-32-29(35)33-30-19-23-16-24(20-30)18-25(17-23)21-30/h9-10,12-13,23-25H,1-8,11,14-22H2,(H2,32,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay

Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%