Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 2' and Ligand = 'BDBM50521692'   

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))	BDBM50521692 (CHEMBL4441013) Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-3-2-4-20(13-18)30-22-11-15(14-27)5-6-16(22)12-21-23(30)28-25(33)31(24(21)32)19-9-7-17(26)8-10-19/h2-13,29H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...				J Med Chem 62: 4669-4682 (2019) Article DOI: 10.1021/acs.jmedchem.9b00274 BindingDB Entry DOI: 10.7270/Q2F1934F
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