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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 = 'BDBM50326195'   
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))
BDBM50326195
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C27H31N5O3/c1-33-19-6-7-20-22(18-19)26(30-35-17-14-31-12-15-34-16-13-31)24-21-4-2-3-5-23(21)29-27(25(20)24)32-10-8-28-9-11-32/h2-7,18,28H,8-17H2,1H3/b30-26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/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