BDBM50257635 (-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE::(2R,3R,4S,5S,6R)-2-((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol::(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL]-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL]OXY]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL::(3BETA)-STIGMAST-5-EN-3-YL BETA-D-GLUCOPYRANOSIDE::.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.)-STIGMAST-5-EN-3-YL::3-BETA-(BETA-D-GLUCOPYRANOSYLOXY)STIGMAST-5-ENE::474-58-8::AC1NX3NW::ALEXANDRIN::AMBAP474-58-8::BETA-DAUCOSTEROL::BETA-SITOSTEROL 3-O-BETA-D-GLUCOPYRANOSIDE::BETA-SITOSTEROL GLUCOSIDE::BETA-SITOSTEROL GLUCUTONIDE::BETA-SITOSTEROL-BETA-D-GLYCOSIDE::BETA-SITOSTERYL-BETA-D-GLUCOPYRANOSIDE::BSSG::C011015::CHEMBL506678::CID5742590::CORIANDRINOL::D05848::DAUCOSTERIN::DAUCOSTEROL::DOURSTEROL::ELEUTHEROSIDE A::EU-4906::FT-0686600::LYONISIDE::NSC-165962::NSC165962::SITOGLUSIDE::SITOGLUSIDE (USAN/INN)::SITOGLUSIDUM::SITOSTEROL BETA-D-GLUCOSIDE::SITOSTEROL GLUCURONIDE::SITOSTEROL-3-O-BETA-D-GLUCOSIDE::STEROLIN::SURECN137210::WA 184

SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C

InChI Key InChIKey=NPJICTMALKLTFW-OFUAXYCQSA-N

Data  4 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 4 hits for monomerid = 50257635   

TargetDNA polymerase beta(Homo sapiens (Human))
Virginia Polytechnic Institute And State University

Curated by ChEMBL
LigandPNGBDBM50257635((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Affinity DataIC50:  2.65E+4nMAssay Description:Inhibition of DNA polymerase beta (unknown origin) lyase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSortase family protein(Staphylococcus aureus)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50257635((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Affinity DataIC50:  3.12E+4nMAssay Description:Inhibitory activity against Sortase A from Staphylococcus aureusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Korean Institute Of Oriental Medicine (Kiom)

Curated by ChEMBL
LigandPNGBDBM50257635((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Sprague-Dawley rat lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSortase family protein(Staphylococcus aureus)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50257635((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Affinity DataIC50:  3.17E+4nMAssay Description:Inhibition of 6-His tagged Staphylococcus aureus recombinant sortase delta N24 expressed in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed