Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50425074'   

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 1 (Homo sapiens (Human))	BDBM50425074 (CHEMBL2312885) Show SMILES CC(C)(C)OC(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCCC(O)=O)cc2c1=O Show InChI InChI=1S/C29H31N3O7/c1-29(2,3)39-28(38)30-14-7-15-32-25-19-8-4-5-9-20(19)26(36)24(25)18-13-12-17(16-21(18)27(32)37)31-22(33)10-6-11-23(34)35/h4-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-3H3,(H,30,38)(H,31,33)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...				J Med Chem 56: 182-200 (2013) Article DOI: 10.1021/jm3014458 BindingDB Entry DOI: 10.7270/Q2MS3V3Z
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