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15 molecules are shown

Wt: 392.5
BDBM25737
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Wt: 224.3
BDBM25731
Purchase
Wt: 280.3
BDBM25734
Wt: 308.4
BDBM25735
Wt: 294.3
BDBM50143928
Wt: 282.4
BDBM50143925
Wt: 228.3
BDBM50143940
Wt: 298.4
BDBM50143916
Wt: 242.3
BDBM50192957
Wt: 270.3
BDBM50192964
Wt: 256.3
BDBM50192966
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Wt: 228.2
BDBM50192936
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Wt: 266.3
BDBM50217478
Wt: 256.3
BDBM50217480
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Wt: 320.4
BDBM50390718

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 25737,25731,25734,25735,50143928,50143925,50143940,50143916,50192957,50192964,50192966,50192936,50217478,50217480,50390718   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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PubMed
n/an/a 290n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25734
PNG
(4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...)
Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 1.85E+4n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25735
PNG
(6-[(adamantan-1-ylcarbamoyl)amino]hexanoic acid | ...)
Show SMILES OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H28N2O3/c20-15(21)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a 1.67E+4n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 1.96E+3n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide hydrolase (MsEH)


(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 60n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase (MsEH)


(Mus musculus (Mouse))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 90n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(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 100n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 160n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method


Bioorg Med Chem Lett 24: 1895-900 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.014
BindingDB Entry DOI: 10.7270/Q22Z1722
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length C-terminal His6-tagged sEH expressed in Escherichia coli BL21(DE3) cells using PHOME as substrate incubated with enzy...


Bioorg Med Chem 22: 2427-34 (2014)


Article DOI: 10.1016/j.bmc.2014.03.001
BindingDB Entry DOI: 10.7270/Q2NV9KRF
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 5.10n/an/an/an/an/an/a



Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem Lett 24: 2193-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.016
BindingDB Entry DOI: 10.7270/Q2PR7XHZ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 3n/an/an/an/an/an/a



Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem Lett 24: 2193-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.016
BindingDB Entry DOI: 10.7270/Q2PR7XHZ
More data for this
Ligand-Target Pair
Epoxide hydratase


(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
Soluble epoxide hydrolase (sEH)


(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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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
Soluble epoxide hydrolase (sEH)


(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)
Soluble epoxide hydrolase (sEH)


(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
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM25734
PNG
(4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...)
Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM25734
PNG
(4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...)
Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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
Epoxide hydratase


(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
Soluble epoxide hydrolase (sEH)


(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
Epoxide hydratase


(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
Epoxide hydratase


(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
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50192936
PNG
(4-(3-cyclohexylureido)butanoic acid | 4-{[(CYCLOHE...)
Show SMILES OC(=O)CCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Soluble epoxide hydrolase (sEH)


(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
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

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM25734
PNG
(4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid | ...)
Show SMILES OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50192957
PNG
(CHEMBL220415 | methyl 4-(3-cyclohexylureido)butano...)
Show SMILES COC(=O)CCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C12H22N2O3/c1-17-11(15)8-5-9-13-12(16)14-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,13,14,16)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50192964
PNG
(CHEMBL219974 | methyl 6-(3-cyclohexylureido)hexano...)
Show SMILES COC(=O)CCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H26N2O3/c1-19-13(17)10-6-3-7-11-15-14(18)16-12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H2,15,16,18)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50192966
PNG
(6-(3-cyclohexylureido)hexanoic acid | 6-{[(CYCLOHE...)
Show SMILES OC(=O)CCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50192966
PNG
(6-(3-cyclohexylureido)hexanoic acid | 6-{[(CYCLOHE...)
Show SMILES OC(=O)CCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50192964
PNG
(CHEMBL219974 | methyl 6-(3-cyclohexylureido)hexano...)
Show SMILES COC(=O)CCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H26N2O3/c1-19-13(17)10-6-3-7-11-15-14(18)16-12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H2,15,16,18)
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n/an/a 110n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25735
PNG
(6-[(adamantan-1-ylcarbamoyl)amino]hexanoic acid | ...)
Show SMILES OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H28N2O3/c20-15(21)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50192957
PNG
(CHEMBL220415 | methyl 4-(3-cyclohexylureido)butano...)
Show SMILES COC(=O)CCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C12H22N2O3/c1-17-11(15)8-5-9-13-12(16)14-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,13,14,16)
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n/an/a 330n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50192936
PNG
(4-(3-cyclohexylureido)butanoic acid | 4-{[(CYCLOHE...)
Show SMILES OC(=O)CCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay


Bioorg Med Chem Lett 16: 5212-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.009
BindingDB Entry DOI: 10.7270/Q29023DS
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 11n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...


Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217478
PNG
(1-adamantan-1-yl-3-(4-hydroxybutyl)urea | CHEMBL39...)
Show SMILES OCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C15H26N2O2/c18-4-2-1-3-16-14(19)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,18H,1-10H2,(H2,16,17,19)
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n/an/a 531n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


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


J Med Chem 50: 5217-26 (2007)


Article DOI: 10.1021/jm070705c
BindingDB Entry DOI: 10.7270/Q24T6J3C
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation by fluorometry assay using 40 uM cyano-(6-methoxy-naphthalen-2-yl...


Bioorg Med Chem Lett 25: 5097-101 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.014
BindingDB Entry DOI: 10.7270/Q2M61N3V
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 1.07E+5n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 16n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in insect High Five cells preincubated for 5 mins followed by addition of t-DPPO as substrate measured ...


J Med Chem 59: 4790-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00173
BindingDB Entry DOI: 10.7270/Q2TB18TZ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 59n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis


Eur J Med Chem 117: 113-24 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.015
BindingDB Entry DOI: 10.7270/Q2S75J7T
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 25n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin)


ACS Med Chem Lett 7: 341-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00099
BindingDB Entry DOI: 10.7270/Q2NG4SJJ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...


J Med Chem 52: 5069-75 (2010)


Article DOI: 10.1021/jm900634w
BindingDB Entry DOI: 10.7270/Q28915W9
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus expression system by fluorimetric assay


J Med Chem 53: 8376-8386 (2010)


Article DOI: 10.1021/jm101087u
BindingDB Entry DOI: 10.7270/Q2D79BNT
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25731
PNG
(1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
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n/an/a 52n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay


Bioorg Med Chem Lett 22: 601-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.074
BindingDB Entry DOI: 10.7270/Q2TM7BJ7
More data for this
Ligand-Target Pair
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