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SMILES: CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=LVDWKYLLAAFQOW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50196661   
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
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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Article
PubMed
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))
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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Article
PubMed
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))
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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PubMed
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
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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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
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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Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate after 40 mins by fluorescence photometric method


Bioorg Med Chem Lett 27: 1874-1879 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.013
BindingDB Entry DOI: 10.7270/Q21838SF
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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