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BDBM50143938 7-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-heptanoic acid ethyl ester::CHEMBL66175

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

InChI Key: InChIKey=RILULYVJZUCETM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143938   
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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
EBifunctional 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)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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