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BDBM50239538 CHEMBL3953305

SMILES: CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCCCOCC#C)cc1

InChI Key: InChIKey=KZUYQOVSZHYFAL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239538   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA topoisomerase I


(Homo sapiens (Human))		BDBM50239538
PNG
(CHEMBL3953305)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCCCOCC#C)cc1
Show InChI InChI=1S/C40H50N6O2/c1-3-26-47-27-12-10-8-6-4-5-7-9-11-13-28-48-34-18-14-31(15-19-34)39-41-35-20-16-32(29-37(35)43-39)40-42-36-21-17-33(30-38(36)44-40)46-24-22-45(2)23-25-46/h1,14-21,29-30H,4-13,22-28H2,2H3,(H,41,43)(H,42,44)
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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