Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50425084'   

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))	BDBM50425084 (CHEMBL2312893 | US9402842, 40) Show SMILES CCOC(=O)CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1 Show InChI InChI=1S/C23H23N3O4/c1-2-30-19(27)13-25-14-8-9-15-18(12-14)23(29)26(11-5-10-24)21-16-6-3-4-7-17(16)22(28)20(15)21/h3-4,6-9,12,25H,2,5,10-11,13,24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.5	25
Purdue Research Foundation US Patent					Assay Description Tdp1 reactions were performed as recently described. Briefly, a 5'-[32P]-labeled single-stranded DNA oligonucleotide containing a 3'-phosphotyrosine ...				US Patent US8912213 (2014) BindingDB Entry DOI: 10.7270/Q2FN14XB
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425084 (CHEMBL2312893 | US9402842, 40) Show SMILES CCOC(=O)CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1 Show InChI InChI=1S/C23H23N3O4/c1-2-30-19(27)13-25-14-8-9-15-18(12-14)23(29)26(11-5-10-24)21-16-6-3-4-7-17(16)22(28)20(15)21/h3-4,6-9,12,25H,2,5,10-11,13,24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425084 (CHEMBL2312893 | US9402842, 40) Show SMILES CCOC(=O)CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1 Show InChI InChI=1S/C23H23N3O4/c1-2-30-19(27)13-25-14-8-9-15-18(12-14)23(29)26(11-5-10-24)21-16-6-3-4-7-17(16)22(28)20(15)21/h3-4,6-9,12,25H,2,5,10-11,13,24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.5	25
Purdue Research Foundation US Patent					Assay Description A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...				US Patent US9402842 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q9R
					More data for this Ligand-Target Pair