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BDBM50327851 1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea::CHEMBL1257404::US9296693, 51

SMILES: CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

InChI Key: InChIKey=BXLCXSJDFZQCTQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50327851   
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))
BDBM50327851
PNG
(1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-y...)
Show SMILES CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N5O4/c1-15(30)28-12-10-27(11-13-28)14-19(31)29-8-6-17(7-9-29)26-20(32)25-16-2-4-18(5-3-16)33-21(22,23)24/h2-5,17H,6-14H2,1H3,(H2,25,26,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.5n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327851
PNG
(1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-y...)
Show SMILES CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N5O4/c1-15(30)28-12-10-27(11-13-28)14-19(31)29-8-6-17(7-9-29)26-20(32)25-16-2-4-18(5-3-16)33-21(22,23)24/h2-5,17H,6-14H2,1H3,(H2,25,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327851
PNG
(1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-y...)
Show SMILES CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N5O4/c1-15(30)28-12-10-27(11-13-28)14-19(31)29-8-6-17(7-9-29)26-20(32)25-16-2-4-18(5-3-16)33-21(22,23)24/h2-5,17H,6-14H2,1H3,(H2,25,26,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.5n/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 fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327851
PNG
(1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-y...)
Show SMILES CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N5O4/c1-15(30)28-12-10-27(11-13-28)14-19(31)29-8-6-17(7-9-29)26-20(32)25-16-2-4-18(5-3-16)33-21(22,23)24/h2-5,17H,6-14H2,1H3,(H2,25,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair