BDBM50558213 CHEMBL4747916

SMILES Oc1cc(cc(O)c1O)[C@@H]1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1

InChI Key InChIKey=XQLJWQWRTLHKGO-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50558213   

TargetBifunctional epoxide hydrolase 2(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50558213(CHEMBL4747916)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50558213(CHEMBL4747916)
Affinity DataKi:  4.55E+4nMAssay Description:Mixed type inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed