BDBM50033723 CHEMBL9164::Heptanoic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester

SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8]

InChI Key InChIKey=IQUFQRYBWZIMNO-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50033723   

TargetDNA topoisomerase 1(Homo sapiens (Human))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50033723(CHEMBL9164 | Heptanoic acid (R)-1-(5,8-dihydroxy-1...)
Affinity DataIC50:  6.25E+5nMAssay Description:Inhibitory activity against DNA topoisomerase-I obtained from Hela cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed