BindingDB logo
myBDB logout

BDBM50399872 CHEMBL2180622

SMILES: CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=VAUKNUQXXYIBDR-IXLFXIALSA-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 = 50399872   
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))
BDBM50399872
PNG
(CHEMBL2180622)
Show SMILES CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C26H33N3O3/c1-2-32-24(30)23-8-5-9-29(23)17-22-7-4-3-6-21(22)16-27-25(31)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,2,10-17H2,1H3,(H2,27,28,31)/t18-,19+,20-,26?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair