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BDBM50468031 CHEMBL4282716

SMILES: Cc1ccc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc3c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1

InChI Key: InChIKey=HJURXUIJKZTXJX-UDGGRRETSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50468031   
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))
BDBM50468031
PNG
(CHEMBL4282716)
Show SMILES Cc1ccc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc3c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
Show InChI InChI=1S/C27H32O12/c1-11-6-7-14-15(8-11)25(39-27-23(35)21(33)19(31)17(10-29)37-27)13-5-3-2-4-12(13)24(14)38-26-22(34)20(32)18(30)16(9-28)36-26/h2-8,16-23,26-35H,9-10H2,1H3/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using NEPC as substrate after 1 hr by fluorescence assay


J Nat Prod 81: 2429-2435 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00441
BindingDB Entry DOI: 10.7270/Q2HQ42KG
More data for this
Ligand-Target Pair