Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50507141'   

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))	BDBM50507141 (CHEMBL4457603) Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)cc(Br)c1O Show InChI InChI=1S/C17H11BrN2O5S2/c1-25-13-7-9(6-12(18)15(13)21)8-14-16(22)19(17(26)27-14)10-2-4-11(5-3-10)20(23)24/h2-8,21H,1H3/b14-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
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