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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase I (Topo I)' and Ligand = 'BDBM50326192'   
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 I (Topo I)


(Homo sapiens (Human))
BDBM50326192
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3/b29-25+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair