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BDBM50196649 12-(3-adamantan-1-yl-ureido)-dodecanoic acid isopropyl ester::CHEMBL427070

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

InChI Key: InChIKey=PLYDUKKPAOVOGM-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50196649   
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
EBifunctional epoxide hydrolase 2


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

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


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


Bioorg Med Chem 15: 312-23 (2006)


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


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

KEGG

UniProtKB/SwissProt

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

Similars

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
Soluble epoxide hydrolase (sEH)


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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