BindingDB logo
myBDB logout

BDBM50305619 CHEMBL591791::N1-(2,4-dichlorobenzyl)-N4-(2-(pyrrolidin-1-yl)ethyl)piperidine-1,4-dicarboxamide

SMILES: Clc1ccc(CNC(=O)N2CCC(CC2)C(=O)NCCN2CCCC2)c(Cl)c1

InChI Key: InChIKey=GPUBGWRFNJRFNS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50305619   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50305619
PNG
(CHEMBL591791 | N1-(2,4-dichlorobenzyl)-N4-(2-(pyrr...)
Show SMILES Clc1ccc(CNC(=O)N2CCC(CC2)C(=O)NCCN2CCCC2)c(Cl)c1
Show InChI InChI=1S/C20H28Cl2N4O2/c21-17-4-3-16(18(22)13-17)14-24-20(28)26-10-5-15(6-11-26)19(27)23-7-12-25-8-1-2-9-25/h3-4,13,15H,1-2,5-12,14H2,(H,23,27)(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


Bioorg Med Chem Lett 20: 571-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.091
BindingDB Entry DOI: 10.7270/Q23R0SZ6
More data for this
Ligand-Target Pair