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BDBM50143919 11-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-undecanoic acid ethyl ester::CHEMBL70231

SMILES: CCOC(=O)CCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=VOOVEEQJVJJICO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143919   
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
Soluble epoxide hydrolase (sEH)


(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
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)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Epoxide hydratase


(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
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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