BDBM50130903 CHEMBL3632950

SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CC(=O)C=C2C

InChI Key InChIKey=DCYOPZMJKBYLCO-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50130903   

TargetCocaine esterase(Human)
Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50130903(CHEMBL3632950)
Affinity DataIC50: 2.02E+3nMAssay 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
LigandPNGBDBM50130903(CHEMBL3632950)
Affinity DataEC50:  5.64E+3nMAssay 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
TargetCocaine esterase(Human)
Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50130903(CHEMBL3632950)
Affinity DataKi:  1.76E+3nMAssay Description:Fixed inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by Dixon and Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2016
Entry Details Article
PubMed