Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 2' and Ligand = 'BDBM50257121'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50257121 (CHEMBL4068761) Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc(F)ccc12 Show InChI InChI=1S/C24H25FN4O3/c1-27-8-10-28(11-9-27)6-3-7-29-22-20(17-5-4-15(25)12-18(17)24(29)31)23(30)19-13-16(32-2)14-26-21(19)22/h4-5,12-14H,3,6-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/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
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