Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50425072'   

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))	BDBM50425072 (CHEMBL2312888) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CC(O)=O)cc2c1=O Show InChI InChI=1S/C22H19N3O5/c23-8-3-9-25-20-14-4-1-2-5-15(14)21(29)19(20)13-7-6-12(10-16(13)22(25)30)24-17(26)11-18(27)28/h1-2,4-7,10H,3,8-9,11,23H2,(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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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