BindingDB PrimarySearch

BDBM50327809 1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea::CHEMBL1258904::US10383835, Compound 1770::US9296693, 40

SMILES: CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=AAJMQTLFRTZCJK-UHFFFAOYSA-N

Data: 2 KI 10 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50327809
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
University of California Davis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eicosis, LLC US Patent					Assay Description FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...				US Patent US10377744 (2019) BindingDB Entry DOI: 10.7270/Q2N3009K
Eicosis, LLC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Soluble epoxide hydrolase (sEH) (Mus musculus (Mouse))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/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
Epoxide hydrolase (Equus caballus (Horse))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...				US Patent US10383835 (2019) BindingDB Entry DOI: 10.7270/Q2XD141M
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					More data for this Ligand-Target Pair
Epoxide hydrolase (Ovis aries (Sheep))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...				US Patent US10383835 (2019) BindingDB Entry DOI: 10.7270/Q2XD141M
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					More data for this Ligand-Target Pair
Epoxide hydrolase 1 (Felis catus (Cat) (Felis silvestris catus))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...				US Patent US10383835 (2019) BindingDB Entry DOI: 10.7270/Q2XD141M
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020)
Goethe-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
University of California Davis Curated by ChEMBL					More data for this Ligand-Target Pair
Soluble epoxide hydrolase (sEH) (Mus musculus (Mouse))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.0	n/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
The Regents of the University of California US Patent					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.0	n/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
The Regents of the University of California US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)