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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Topoisomerase I/II' and Ligand = 'BDBM50493692'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50493692
PNG
(CHEMBL2435183)
Show SMILES OCc1ccc(NC(=O)CNC(=O)CCCCCC(=O)Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C31H30N2O11/c34-16-17-6-9-19(10-7-17)33-26(40)15-32-25(39)4-2-1-3-5-27(41)44-31-29(42)28-23(38)13-20(35)14-24(28)43-30(31)18-8-11-21(36)22(37)12-18/h6-14,34-38H,1-5,15-16H2,(H,32,39)(H,33,40)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using relaxed pBR322 as substrate after 10 mins by decatenation assay


Bioorg Med Chem Lett 23: 5874-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.094
BindingDB Entry DOI: 10.7270/Q2NK3HZ8
More data for this
Ligand-Target Pair