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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha/2-beta' and Ligand = 'BDBM50471911'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471911
PNG
(CHEMBL342844)
Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N1CCOCC1
Show InChI InChI=1S/C33H39NO12/c1-16-40-14-26-32(44-16)21(34-4-6-39-7-5-34)12-27(45-26)46-31-19-11-23-22(42-15-43-23)10-18(19)28(29-20(31)13-41-33(29)36)17-8-24(37-2)30(35)25(9-17)38-3/h8-11,16,20-21,26-29,31-32,35H,4-7,12-15H2,1-3H3/t16?,20-,21?,26?,27?,28+,29-,31+,32?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II


J Med Chem 41: 4475-85 (1998)


Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB
More data for this
Ligand-Target Pair