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SMILES: CCCCCc1cc(O)cc(O)c1C(=O)Oc1ccc(C(O)=O)c(O)c1

InChI Key: InChIKey=JKUMUJVMZAUXGF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50496617   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50496617
PNG
(CHEMBL3134419)
Show SMILES CCCCCc1cc(O)cc(O)c1C(=O)Oc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H20O7/c1-2-3-4-5-11-8-12(20)9-16(22)17(11)19(25)26-13-6-7-14(18(23)24)15(21)10-13/h6-10,20-22H,2-5H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)


Article DOI: 10.1039/c3md00238a
BindingDB Entry DOI: 10.7270/Q23F4SM4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496617
PNG
(CHEMBL3134419)
Show SMILES CCCCCc1cc(O)cc(O)c1C(=O)Oc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H20O7/c1-2-3-4-5-11-8-12(20)9-16(22)17(11)19(25)26-13-6-7-14(18(23)24)15(21)10-13/h6-10,20-22H,2-5H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)


Article DOI: 10.1039/c3md00238a
BindingDB Entry DOI: 10.7270/Q23F4SM4
More data for this
Ligand-Target Pair