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BDBM50239537 CHEMBL3981132

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

InChI Key: InChIKey=QGRAPRMWLBSVPG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239537   
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))		BDBM50239537
PNG
(CHEMBL3981132)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCOCC#C)cc1
Show InChI InChI=1S/C34H38N6O2/c1-3-20-41-21-6-4-5-7-22-42-28-12-8-25(9-13-28)33-35-29-14-10-26(23-31(29)37-33)34-36-30-15-11-27(24-32(30)38-34)40-18-16-39(2)17-19-40/h1,8-15,23-24H,4-7,16-22H2,2H3,(H,35,37)(H,36,38)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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