Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50425075'   

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))	BDBM50425075 (CHEMBL2312569) Show SMILES COC(=O)CCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1 Show InChI InChI=1S/C30H33N3O7/c1-30(2,3)40-29(38)31-15-8-16-33-26-20-9-5-6-10-21(20)27(36)25(26)19-14-13-18(17-22(19)28(33)37)32-23(34)11-7-12-24(35)39-4/h5-6,9-10,13-14,17H,7-8,11-12,15-16H2,1-4H3,(H,31,38)(H,32,34)	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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