Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50425050'   

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))	BDBM50425050 (CHEMBL2312884) Show SMILES CC(C)(C)OC(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCC(O)=O)cc2c1=O Show InChI InChI=1S/C28H29N3O7/c1-28(2,3)38-27(37)29-13-6-14-31-24-18-7-4-5-8-19(18)25(35)23(24)17-10-9-16(15-20(17)26(31)36)30-21(32)11-12-22(33)34/h4-5,7-10,15H,6,11-14H2,1-3H3,(H,29,37)(H,30,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	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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