Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50237812'   

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))	BDBM50237812 (CHEMBL4099532) Show SMILES CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C21H20N4O5/c1-3-22-7-4-8-24-19-17(20(26)16-10-13(30-2)11-23-18(16)19)14-6-5-12(25(28)29)9-15(14)21(24)27/h5-6,9-11,22H,3-4,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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) assessed as decrease in hydrolysis of phosphodiester linkage between tyrosine residue and the 3' end ...				J Med Chem 60: 3275-3288 (2017) Article DOI: 10.1021/acs.jmedchem.6b01565 BindingDB Entry DOI: 10.7270/Q24Q7X72
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