Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50237810'   

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))	BDBM50237810 (CHEMBL4061238) Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C24H25N5O5/c1-34-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-15(29(32)33)11-18(17)24(31)28(22)8-2-7-27-9-5-14(25)6-10-27/h3-4,11-14H,2,5-10,25H2,1H3	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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