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PubMed code 15056008

Compile data set for download or QSAR
Found 72 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


(Mus musculus (Mouse))		BDBM50143925
PNG
(1-Cyclohexyl-3-decyl-urea | CHEMBL67158 | N-CYCLOH...)
Show SMILES CCCCCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143935
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 4-ethoxyc...)
Show SMILES CCOC(=O)Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,23:24:28:22.21.27,THB:29:24:20.21.28:27,23:22:28:24.29.25|
Show InChI InChI=1S/C25H34N2O5/c1-2-31-23(29)13-17-5-7-21(8-6-17)32-22(28)4-3-9-26-24(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h5-8,18-20H,2-4,9-16H2,1H3,(H2,26,27,30)
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n/an/a 50n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143921
PNG
(1-Adamantan-1-yl-3-decyl-urea | CHEMBL69663)
Show SMILES CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:18.17.19,17:18:22:16.15.21,THB:23:18:14.22.15:21,17:16:22:18.23.19|
Show InChI InChI=1S/C21H38N2O/c1-2-3-4-5-6-7-8-9-10-22-20(24)23-21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,2-16H2,1H3,(H2,22,23,24)
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n/an/a 50n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143933
PNG
(5-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-pentano...)
Show SMILES CCOC(=O)CCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:25:20:23.28.22,24:23:20:25.27.26,27:19:22:25.26.24,27:25:19.20.28:22|
Show InChI InChI=1S/C22H36N2O5/c1-2-28-19(25)6-3-4-9-29-20(26)7-5-8-23-21(27)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h16-18H,2-15H2,1H3,(H2,23,24,27)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143942
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 3-ethoxyc...)
Show SMILES CCOC(=O)CCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:24:19:22.27.21,23:22:19:24.26.25,26:18:21:24.25.23,26:24:18.19.27:21|
Show InChI InChI=1S/C21H34N2O5/c1-2-27-18(24)6-4-8-28-19(25)5-3-7-22-20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,2-14H2,1H3,(H2,22,23,26)
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n/an/a 50n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143913
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid pentyl es...)
Show SMILES CCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.23.20,22:21:24:17.16.18,THB:16:15:17.18.22:20,16:17:15.23.24:20|
Show InChI InChI=1S/C20H34N2O3/c1-2-3-4-8-25-18(23)6-5-7-21-19(24)22-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3,(H2,21,22,24)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143920
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 4-(2-etho...)
Show SMILES CCOC(=O)C=Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |w:5.4,THB:29:21:24:27.28.26,29:27:21.30.22:24,22:21:23.24.28:26,22:23:21.30.29:26|
Show InChI InChI=1S/C26H34N2O5/c1-2-32-23(29)10-7-18-5-8-22(9-6-18)33-24(30)4-3-11-27-25(31)28-26-15-19-12-20(16-26)14-21(13-19)17-26/h5-10,19-21H,2-4,11-17H2,1H3,(H2,27,28,31)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143916
PNG
(4-(3-Cyclohexyl-ureido)-butyric acid pentyl ester ...)
Show SMILES CCCCCOC(=O)CCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C16H30N2O3/c1-2-3-7-13-21-15(19)11-8-12-17-16(20)18-14-9-5-4-6-10-14/h14H,2-13H2,1H3,(H2,17,18,20)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143927
PNG
(8-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-octanoi...)
Show SMILES CCOC(=O)CCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:29:24:31:28.30.27,29:28:31:24.23.25,THB:23:22:24.25.29:27,23:24:22.30.31:27|
Show InChI InChI=1S/C25H42N2O5/c1-2-31-22(28)9-6-4-3-5-7-12-32-23(29)10-8-11-26-24(30)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h19-21H,2-18H2,1H3,(H2,26,27,30)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143939
PNG
(4-[4-(3-Adamantan-1-yl-ureido)-butyryloxymethyl]-b...)
Show SMILES CCOC(=O)c1ccc(COC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:25:26:21:24.29.23,25:24:21:26.28.27,29:24:20.28.21:27|
Show InChI InChI=1S/C25H34N2O5/c1-2-31-23(29)21-7-5-17(6-8-21)16-32-22(28)4-3-9-26-24(30)27-25-13-18-10-19(14-25)12-20(11-18)15-25/h5-8,18-20H,2-4,9-16H2,1H3,(H2,26,27,30)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143941
PNG
(12-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-dodeca...)
Show SMILES CCOC(=O)CCCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:33:28:35:32.34.31,33:32:35:28.27.29,THB:27:26:28.29.33:31,27:28:26.34.35:31|
Show InChI InChI=1S/C29H50N2O5/c1-2-35-26(32)13-10-8-6-4-3-5-7-9-11-16-36-27(33)14-12-15-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h23-25H,2-22H2,1H3,(H2,30,31,34)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143918
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid ethoxycar...)
Show SMILES CCOC(=O)COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.24.21,23:22:25:18.17.19,THB:17:16:18.19.23:21,17:18:16.25.24:21|
Show InChI InChI=1S/C19H30N2O5/c1-2-25-17(23)12-26-16(22)4-3-5-20-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,2-12H2,1H3,(H2,20,21,24)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143922
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 3,7-dimet...)
Show SMILES [#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |THB:19:20:15:18.23.17,19:18:15:20.22.21,22:14:17:20.21.19,22:20:14.23.15:17|
Show InChI InChI=1S/C25H42N2O3/c1-18(2)6-4-7-19(3)9-11-30-23(28)8-5-10-26-24(29)27-25-15-20-12-21(16-25)14-22(13-20)17-25/h6,19-22H,4-5,7-17H2,1-3H3,(H2,26,27,29)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143938
PNG
(7-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-heptano...)
Show SMILES CCOC(=O)CCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:27:22:25.30.24,26:25:22:27.29.28,29:21:24:27.28.26,29:27:21.22.30:24|
Show InChI InChI=1S/C24H40N2O5/c1-2-30-21(27)8-5-3-4-6-11-31-22(28)9-7-10-25-23(29)26-24-15-18-12-19(16-24)14-20(13-18)17-24/h18-20H,2-17H2,1H3,(H2,25,26,29)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143919
PNG
(11-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-undeca...)
Show SMILES CCOC(=O)CCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:27:34:31.33.30,32:31:34:27.26.28,THB:26:25:27.28.32:30,26:27:25.33.34:30|
Show InChI InChI=1S/C28H48N2O5/c1-2-34-25(31)12-9-7-5-3-4-6-8-10-15-35-26(32)13-11-14-29-27(33)30-28-19-22-16-23(20-28)18-24(17-22)21-28/h22-24H,2-21H2,1H3,(H2,29,30,33)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143917
PNG
(10-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-decano...)
Show SMILES CCOC(=O)CCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:31:26:33:30.32.29,31:30:33:26.25.27,THB:25:24:26.27.31:29,25:26:24.32.33:29|
Show InChI InChI=1S/C27H46N2O5/c1-2-33-24(30)11-8-6-4-3-5-7-9-14-34-25(31)12-10-13-28-26(32)29-27-18-21-15-22(19-27)17-23(16-21)20-27/h21-23H,2-20H2,1H3,(H2,28,29,32)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143923
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 2-ethoxyc...)
Show SMILES CCOC(=O)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:22:23:18:21.26.20,22:21:18:23.25.24,26:21:17.18.25:24|
Show InChI InChI=1S/C20H32N2O5/c1-2-26-18(24)5-7-27-17(23)4-3-6-21-19(25)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-16H,2-13H2,1H3,(H2,21,22,25)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143941
PNG
(12-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-dodeca...)
Show SMILES CCOC(=O)CCCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:33:28:35:32.34.31,33:32:35:28.27.29,THB:27:26:28.29.33:31,27:28:26.34.35:31|
Show InChI InChI=1S/C29H50N2O5/c1-2-35-26(32)13-10-8-6-4-3-5-7-9-11-16-36-27(33)14-12-15-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h23-25H,2-22H2,1H3,(H2,30,31,34)
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n/an/a 100n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143917
PNG
(10-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-decano...)
Show SMILES CCOC(=O)CCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:31:26:33:30.32.29,31:30:33:26.25.27,THB:25:24:26.27.31:29,25:26:24.32.33:29|
Show InChI InChI=1S/C27H46N2O5/c1-2-33-24(30)11-8-6-4-3-5-7-9-14-34-25(31)12-10-13-28-26(32)29-27-18-21-15-22(19-27)17-23(16-21)20-27/h21-23H,2-20H2,1H3,(H2,28,29,32)
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n/an/a 100n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143928
PNG
(4-(3-adamantan-1-yl-ureido)-butyric acid methyl es...)
Show SMILES COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:12:11:13.14.18:16,12:13:11.19.20:16|
Show InChI InChI=1S/C16H26N2O3/c1-21-14(19)3-2-4-17-15(20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3,(H2,17,18,20)
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n/an/a 100n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143919
PNG
(11-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-undeca...)
Show SMILES CCOC(=O)CCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:27:34:31.33.30,32:31:34:27.26.28,THB:26:25:27.28.32:30,26:27:25.33.34:30|
Show InChI InChI=1S/C28H48N2O5/c1-2-34-25(31)12-9-7-5-3-4-6-8-10-15-35-26(32)13-11-14-29-27(33)30-28-19-22-16-23(20-28)18-24(17-22)21-28/h22-24H,2-21H2,1H3,(H2,29,30,33)
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n/an/a 100n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143939
PNG
(4-[4-(3-Adamantan-1-yl-ureido)-butyryloxymethyl]-b...)
Show SMILES CCOC(=O)c1ccc(COC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:25:26:21:24.29.23,25:24:21:26.28.27,29:24:20.28.21:27|
Show InChI InChI=1S/C25H34N2O5/c1-2-31-23(29)21-7-5-17(6-8-21)16-32-22(28)4-3-9-26-24(30)27-25-13-18-10-19(14-25)12-20(11-18)15-25/h5-8,18-20H,2-4,9-16H2,1H3,(H2,26,27,30)
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n/an/a 100n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143921
PNG
(1-Adamantan-1-yl-3-decyl-urea | CHEMBL69663)
Show SMILES CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:18.17.19,17:18:22:16.15.21,THB:23:18:14.22.15:21,17:16:22:18.23.19|
Show InChI InChI=1S/C21H38N2O/c1-2-3-4-5-6-7-8-9-10-22-20(24)23-21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,2-16H2,1H3,(H2,22,23,24)
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n/an/a 100n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143927
PNG
(8-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-octanoi...)
Show SMILES CCOC(=O)CCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:29:24:31:28.30.27,29:28:31:24.23.25,THB:23:22:24.25.29:27,23:24:22.30.31:27|
Show InChI InChI=1S/C25H42N2O5/c1-2-31-22(28)9-6-4-3-5-7-12-32-23(29)10-8-11-26-24(30)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h19-21H,2-18H2,1H3,(H2,26,27,30)
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n/an/a 110n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143922
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 3,7-dimet...)
Show SMILES [#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |THB:19:20:15:18.23.17,19:18:15:20.22.21,22:14:17:20.21.19,22:20:14.23.15:17|
Show InChI InChI=1S/C25H42N2O3/c1-18(2)6-4-7-19(3)9-11-30-23(28)8-5-10-26-24(29)27-25-15-20-12-21(16-25)14-22(13-20)17-25/h6,19-22H,4-5,7-17H2,1-3H3,(H2,26,27,29)
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n/an/a 110n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143938
PNG
(7-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-heptano...)
Show SMILES CCOC(=O)CCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:27:22:25.30.24,26:25:22:27.29.28,29:21:24:27.28.26,29:27:21.22.30:24|
Show InChI InChI=1S/C24H40N2O5/c1-2-30-21(27)8-5-3-4-6-11-31-22(28)9-7-10-25-23(29)26-24-15-18-12-19(16-24)14-20(13-18)17-24/h18-20H,2-17H2,1H3,(H2,25,26,29)
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n/an/a 120n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143942
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 3-ethoxyc...)
Show SMILES CCOC(=O)CCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:24:19:22.27.21,23:22:19:24.26.25,26:18:21:24.25.23,26:24:18.19.27:21|
Show InChI InChI=1S/C21H34N2O5/c1-2-27-18(24)6-4-8-28-19(25)5-3-7-22-20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,2-14H2,1H3,(H2,22,23,26)
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n/an/a 120n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143933
PNG
(5-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-pentano...)
Show SMILES CCOC(=O)CCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:25:20:23.28.22,24:23:20:25.27.26,27:19:22:25.26.24,27:25:19.20.28:22|
Show InChI InChI=1S/C22H36N2O5/c1-2-28-19(25)6-3-4-9-29-20(26)7-5-8-23-21(27)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h16-18H,2-15H2,1H3,(H2,23,24,27)
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n/an/a 130n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143912
PNG
(1-(3-Chloro-phenyl)-3-(4-hydroxy-decyl)-urea | CHE...)
Show SMILES CCCCCCC(O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H27ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13,16,21H,2-5,7,10-12H2,1H3,(H2,19,20,22)
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n/an/a 140n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143935
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 4-ethoxyc...)
Show SMILES CCOC(=O)Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,23:24:28:22.21.27,THB:29:24:20.21.28:27,23:22:28:24.29.25|
Show InChI InChI=1S/C25H34N2O5/c1-2-31-23(29)13-17-5-7-21(8-6-17)32-22(28)4-3-9-26-24(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h5-8,18-20H,2-4,9-16H2,1H3,(H2,26,27,30)
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n/an/a 140n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143925
PNG
(1-Cyclohexyl-3-decyl-urea | CHEMBL67158 | N-CYCLOH...)
Show SMILES CCCCCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)
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n/an/a 140n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143913
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid pentyl es...)
Show SMILES CCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.23.20,22:21:24:17.16.18,THB:16:15:17.18.22:20,16:17:15.23.24:20|
Show InChI InChI=1S/C20H34N2O3/c1-2-3-4-8-25-18(23)6-5-7-21-19(24)22-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3,(H2,21,22,24)
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n/an/a 170n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143920
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 4-(2-etho...)
Show SMILES CCOC(=O)C=Cc1ccc(OC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |w:5.4,THB:29:21:24:27.28.26,29:27:21.30.22:24,22:21:23.24.28:26,22:23:21.30.29:26|
Show InChI InChI=1S/C26H34N2O5/c1-2-32-23(29)10-7-18-5-8-22(9-6-18)33-24(30)4-3-11-27-25(31)28-26-15-19-12-20(16-26)14-21(13-19)17-26/h5-10,19-21H,2-4,11-17H2,1H3,(H2,27,28,31)
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n/an/a 200n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143937
PNG
(1-Cyclohexyl-3-(3-methoxy-propyl)-urea | CHEMBL683...)
Show SMILES COCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C11H22N2O2/c1-15-9-5-8-12-11(14)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,12,13,14)
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n/an/a 330n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143926
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl...)
Show SMILES CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-11-22-15(20)9-6-10-18-16(21)19-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)
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n/an/a 370n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143918
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid ethoxycar...)
Show SMILES CCOC(=O)COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.24.21,23:22:25:18.17.19,THB:17:16:18.19.23:21,17:18:16.25.24:21|
Show InChI InChI=1S/C19H30N2O5/c1-2-25-17(23)12-26-16(22)4-3-5-20-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,2-12H2,1H3,(H2,20,21,24)
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University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143936
PNG
(1-(3-Chloro-phenyl)-3-(4-oxo-decyl)-urea | CHEMBL6...)
Show SMILES CCCCCCC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H25ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13H,2-5,7,10-12H2,1H3,(H2,19,20,22)
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n/an/a 410n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143923
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 2-ethoxyc...)
Show SMILES CCOC(=O)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:22:23:18:21.26.20,22:21:18:23.25.24,26:21:17.18.25:24|
Show InChI InChI=1S/C20H32N2O5/c1-2-26-18(24)5-7-27-17(23)4-3-6-21-19(25)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-16H,2-13H2,1H3,(H2,21,22,25)
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n/an/a 540n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143916
PNG
(4-(3-Cyclohexyl-ureido)-butyric acid pentyl ester ...)
Show SMILES CCCCCOC(=O)CCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C16H30N2O3/c1-2-3-7-13-21-15(19)11-8-12-17-16(20)18-14-9-5-4-6-10-14/h14H,2-13H2,1H3,(H2,17,18,20)
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143928
PNG
(4-(3-adamantan-1-yl-ureido)-butyric acid methyl es...)
Show SMILES COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:12:11:13.14.18:16,12:13:11.19.20:16|
Show InChI InChI=1S/C16H26N2O3/c1-21-14(19)3-2-4-17-15(20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3,(H2,17,18,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143936
PNG
(1-(3-Chloro-phenyl)-3-(4-oxo-decyl)-urea | CHEMBL6...)
Show SMILES CCCCCCC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H25ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13H,2-5,7,10-12H2,1H3,(H2,19,20,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143926
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl...)
Show SMILES CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-11-22-15(20)9-6-10-18-16(21)19-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143931
PNG
(3-(3-Cyclohexyl-ureido)-propionic acid methyl este...)
Show SMILES COC(=O)CCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C11H20N2O3/c1-16-10(14)7-8-12-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,15)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143912
PNG
(1-(3-Chloro-phenyl)-3-(4-hydroxy-decyl)-urea | CHE...)
Show SMILES CCCCCCC(O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H27ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13,16,21H,2-5,7,10-12H2,1H3,(H2,19,20,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143924
PNG
(CHEMBL69744 | Pentyl-carbamic acid 2-[3-(3-chloro-...)
Show SMILES CCCCCNC(=O)OCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN3O3/c1-2-3-4-8-18-15(21)22-10-9-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20)
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143937
PNG
(1-Cyclohexyl-3-(3-methoxy-propyl)-urea | CHEMBL683...)
Show SMILES COCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C11H22N2O2/c1-15-9-5-8-12-11(14)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,12,13,14)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143909
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-N-pentyl-butyramide...)
Show SMILES CCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClN3O2/c1-2-3-4-10-18-15(21)9-6-11-19-16(22)20-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,18,21)(H2,19,20,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143934
PNG
(CHEMBL69495 | Carbonic acid 2-[3-(3-chloro-phenyl)...)
Show SMILES CCCCCOC(=O)OCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H21ClN2O4/c1-2-3-4-9-21-15(20)22-10-8-17-14(19)18-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,19)
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143915
PNG
(CHEMBL66709 | Heptanoic acid 2-[3-(3-chloro-phenyl...)
Show SMILES CCCCCCC(=O)OCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-5-9-15(20)22-11-10-18-16(21)19-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H2,18,19,21)
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143924
PNG
(CHEMBL69744 | Pentyl-carbamic acid 2-[3-(3-chloro-...)
Show SMILES CCCCCNC(=O)OCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN3O3/c1-2-3-4-8-18-15(21)22-10-9-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143934
PNG
(CHEMBL69495 | Carbonic acid 2-[3-(3-chloro-phenyl)...)
Show SMILES CCCCCOC(=O)OCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H21ClN2O4/c1-2-3-4-9-21-15(20)22-10-8-17-14(19)18-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,19)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM25734
PNG
(4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...)
Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
Show InChI InChI=1S/C15H24N2O3/c18-13(19)2-1-3-16-14(20)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,18,19)(H2,16,17,20)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143915
PNG
(CHEMBL66709 | Heptanoic acid 2-[3-(3-chloro-phenyl...)
Show SMILES CCCCCCC(=O)OCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-5-9-15(20)22-11-10-18-16(21)19-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H2,18,19,21)
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143909
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-N-pentyl-butyramide...)
Show SMILES CCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClN3O2/c1-2-3-4-10-18-15(21)9-6-11-19-16(22)20-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,18,21)(H2,19,20,22)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143930
PNG
((3-Cyclohexyl-ureido)-acetic acid methyl ester | C...)
Show SMILES COC(=O)CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C10H18N2O3/c1-15-9(13)7-11-10(14)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,14)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM25734
PNG
(4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...)
Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
Show InChI InChI=1S/C15H24N2O3/c18-13(19)2-1-3-16-14(20)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,18,19)(H2,16,17,20)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143930
PNG
((3-Cyclohexyl-ureido)-acetic acid methyl ester | C...)
Show SMILES COC(=O)CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C10H18N2O3/c1-15-9(13)7-11-10(14)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,14)
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143931
PNG
(3-(3-Cyclohexyl-ureido)-propionic acid methyl este...)
Show SMILES COC(=O)CCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C11H20N2O3/c1-16-10(14)7-8-12-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,15)
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143929
PNG
(CHEMBL66796 | {2-[3-(3-Chloro-phenyl)-ureido]-ethy...)
Show SMILES CCCCCOC(=O)NCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN3O3/c1-2-3-4-10-22-15(21)18-9-8-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20)
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143940
PNG
(1-Cyclohexyl-3-(5-hydroxy-pentyl)-urea | CHEMBL664...)
Show SMILES OCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2/c15-10-6-2-5-9-13-12(16)14-11-7-3-1-4-8-11/h11,15H,1-10H2,(H2,13,14,16)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143932
PNG
(CHEMBL63945 | Heptanoic acid {2-[3-(3-chloro-pheny...)
Show SMILES CCCCCCC(=O)NCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClN3O2/c1-2-3-4-5-9-15(21)18-10-11-19-16(22)20-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)(H2,19,20,22)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143910
PNG
(1-{2-[3-(3-Chloro-phenyl)-ureido]-ethyl}-3-pentyl-...)
Show SMILES CCCCCNC(=O)NCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN4O2/c1-2-3-4-8-17-14(21)18-9-10-19-15(22)20-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,21)(H2,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143929
PNG
(CHEMBL66796 | {2-[3-(3-Chloro-phenyl)-ureido]-ethy...)
Show SMILES CCCCCOC(=O)NCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN3O3/c1-2-3-4-10-22-15(21)18-9-8-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143932
PNG
(CHEMBL63945 | Heptanoic acid {2-[3-(3-chloro-pheny...)
Show SMILES CCCCCCC(=O)NCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClN3O2/c1-2-3-4-5-9-15(21)18-10-11-19-16(22)20-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)(H2,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143910
PNG
(1-{2-[3-(3-Chloro-phenyl)-ureido]-ethyl}-3-pentyl-...)
Show SMILES CCCCCNC(=O)NCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN4O2/c1-2-3-4-8-17-14(21)18-9-10-19-15(22)20-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,21)(H2,19,20,22)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143908
PNG
(3-(3-Cyclohexyl-ureido)-propionic acid | CHEMBL304...)
Show SMILES OC(=O)CCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C10H18N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
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n/an/a 1.22E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143940
PNG
(1-Cyclohexyl-3-(5-hydroxy-pentyl)-urea | CHEMBL664...)
Show SMILES OCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2/c15-10-6-2-5-9-13-12(16)14-11-7-3-1-4-8-11/h11,15H,1-10H2,(H2,13,14,16)
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n/an/a 2.53E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143908
PNG
(3-(3-Cyclohexyl-ureido)-propionic acid | CHEMBL304...)
Show SMILES OC(=O)CCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C10H18N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
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n/an/a 3.58E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143911
PNG
(1-Cyclohexyl-3-(3-hydroxy-propyl)-urea | CHEMBL701...)
Show SMILES OCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C10H20N2O2/c13-8-4-7-11-10(14)12-9-5-2-1-3-6-9/h9,13H,1-8H2,(H2,11,12,14)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143914
PNG
((3-Cyclohexyl-ureido)-acetic acid | 2-(3-cyclohexy...)
Show SMILES OC(=O)CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))		BDBM50143914
PNG
((3-Cyclohexyl-ureido)-acetic acid | 2-(3-cyclohexy...)
Show SMILES OC(=O)CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50143911
PNG
(1-Cyclohexyl-3-(3-hydroxy-propyl)-urea | CHEMBL701...)
Show SMILES OCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C10H20N2O2/c13-8-4-7-11-10(14)12-9-5-2-1-3-6-9/h9,13H,1-8H2,(H2,11,12,14)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)

J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%