Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50425049'   

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))	BDBM50425049 (CHEMBL2312886) Show SMILES CC(OC(C)(C)C)=NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCCCC(O)=O)cc2c1=O |w:7.7| Show InChI InChI=1S/C31H35N3O6/c1-19(40-31(2,3)4)32-16-9-17-34-28-22-10-5-6-11-23(22)29(38)27(28)21-15-14-20(18-24(21)30(34)39)33-25(35)12-7-8-13-26(36)37/h5-6,10-11,14-15,18H,7-9,12-13,16-17H2,1-4H3,(H,33,35)(H,36,37)	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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