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Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50257124'   
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 1


(Homo sapiens (Human))		BDBM50257124
PNG
(CHEMBL4070873)
Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
Show InChI InChI=1S/C20H18FN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a>1.11E+5n/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 TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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