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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50239535'   
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))		BDBM50239535
PNG
(CHEMBL3973119)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCOCC#C)cc1
Show InChI InChI=1S/C38H46N6O2/c1-3-24-45-25-10-8-6-4-5-7-9-11-26-46-32-16-12-29(13-17-32)37-39-33-18-14-30(27-35(33)41-37)38-40-34-19-15-31(28-36(34)42-38)44-22-20-43(2)21-23-44/h1,12-19,27-28H,4-11,20-26H2,2H3,(H,39,41)(H,40,42)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using plasmid pBAD-GFPuv as substrate after 30 mins by agarose gel electrophoresis

J Med Chem 60: 4904-4922 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00191
BindingDB Entry DOI: 10.7270/Q2XW4N0B
More data for this
Ligand-Target Pair