BDBM50226465 CHEMBL402063::E-guggulsterone::pregna-4,17(20)-cis-diene-3,16-dione

SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key InChIKey=WDXRGPWQVHZTQJ-UHFFFAOYSA-N

Data  5 KI  9 IC50

  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 1 hit for monomerid = 50226465   

TargetNuclear receptor subfamily 1 group I member 2(Human)
University of Perugia

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50226465BDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 2.40nMAssay Description:Inhibitory concentration against Pregnane X receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed