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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50033736'   
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))		BDBM50033736
PNG
(CHEMBL9469 | Octanoic acid (R)-1-(5,8-dihydroxy-1,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:11.11|
Show InChI InChI=1S/C24H30O6/c1-4-5-6-7-8-9-21(28)30-20(13-10-15(2)3)16-14-19(27)22-17(25)11-12-18(26)23(22)24(16)29/h10-14,25-27,29H,4-9H2,1-3H3
PDB

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PC sid
UniChem

Similars
PubMed
n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair