BDBM50317552 (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid::3-O-beta-D-glucopyranosyl quinovic acid28-O-beta-D-glucopyranosyl ester::CHEMBL501302

SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

InChI Key InChIKey=LDCLXZSKVDYDBF-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50317552   

TargetDNA topoisomerase 1(Human)
Stephen F. Austin State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50317552BDBM50317552(3-O-beta-D-glucopyranosyl quinovic acid28-O-beta-D...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human DNA topoisomerase 1-mediated relaxation of supercoiled DNA by gel electrophoresisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetDNA topoisomerase 2-alpha(Human)
Stephen F. Austin State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50317552BDBM50317552(3-O-beta-D-glucopyranosyl quinovic acid28-O-beta-D...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human DNA topoisomerase 2-mediated relaxation of supercoiled DNA by gel electrophoresisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed