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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50018914'   
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 1


(Homo sapiens (Human))
BDBM50018914
PNG
(CHEMBL3623263)
Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1OC
Show InChI InChI=1S/C20H26N5O7P/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(32-16)10-31-33(28,29)30/h5-8,11,14-16,26H,2-4,9-10H2,1H3,(H2,28,29,30)(H2,22,23,24,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair