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Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 2' and Ligand = 'BDBM50257123'   
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
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))		BDBM50257123
PNG
(CHEMBL4072279)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(Cl)ccc12 |t:19|
Show InChI InChI=1S/C22H19ClN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 3.29E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 3'-labeled alpha-[32P]-cordycepin as substrate after 15 mins

J Med Chem 60: 5364-5376 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01870
BindingDB Entry DOI: 10.7270/Q290266B
More data for this
Ligand-Target Pair