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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 = 'BDBM50326181'   
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))
BDBM50326181
PNG
((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C21H21N3O3/c1-24(2)10-11-27-23-20-16-12-13(26-3)8-9-14(16)19-18(20)15-6-4-5-7-17(15)22-21(19)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)/b23-20+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+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