BDBM50130918 CHEMBL3632943

SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C

InChI Key InChIKey=QFRHSOZLXIIAOY-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 = 50130918   

TargetCocaine esterase(Human)
Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50130918(CHEMBL3632943)
Affinity DataIC50: 3.34E+4nMAssay Description:Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2016
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Dalian Medical University

Curated by ChEMBL
LigandPNGBDBM50130918(CHEMBL3632943)
Affinity DataEC50:  1.21E+4nMAssay Description:Transactivation of FXR (unknown origin) transfected in HepG2 cells co-expressing pBSEP/pGL4.74 incubated for 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed