Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: Q9JJX7   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50179250 (CHEMBL3813826) Show SMILES OC(=O)C1=NN(C(=O)\C1=C/c1ccc(cc1)N(CCC#N)CCC#N)c1ccc(cc1)S(O)(=O)=O |t:3| Show InChI InChI=1S/C23H19N5O6S/c24-11-1-13-27(14-2-12-25)17-5-3-16(4-6-17)15-20-21(23(30)31)26-28(22(20)29)18-7-9-19(10-8-18)35(32,33)34/h3-10,15H,1-2,13-14H2,(H,30,31)(H,32,33,34)/b20-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method				Bioorg Med Chem Lett 26: 3232-3236 (2016) Article DOI: 10.1016/j.bmcl.2016.05.065 BindingDB Entry DOI: 10.7270/Q22809HF
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	7.5	n/a
National Institutes of Health					Assay Description TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...				ACS Chem Biol 11: 1925-33 (2016) Article DOI: 10.1021/acschembio.5b01047 BindingDB Entry DOI: 10.7270/Q2G15ZN9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50438865 (2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...) Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	7.5	n/a
National Institutes of Health					Assay Description TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...				ACS Chem Biol 11: 1925-33 (2016) Article DOI: 10.1021/acschembio.5b01047 BindingDB Entry DOI: 10.7270/Q2G15ZN9
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50438882 (10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...) Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1 Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	7.5	n/a
National Institutes of Health					Assay Description TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...				ACS Chem Biol 11: 1925-33 (2016) Article DOI: 10.1021/acschembio.5b01047 BindingDB Entry DOI: 10.7270/Q2G15ZN9
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50179183 (CHEMBL576840 | NSC-3198) Show SMILES OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C22H24N2O6S2/c25-19(11-15-7-3-1-4-8-15)23-17(21(27)28)13-31-32-14-18(22(29)30)24-20(26)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method				Bioorg Med Chem Lett 26: 3232-3236 (2016) Article DOI: 10.1016/j.bmcl.2016.05.065 BindingDB Entry DOI: 10.7270/Q22809HF
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50179184 (CHEMBL264425) Show SMILES OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method				Bioorg Med Chem Lett 26: 3232-3236 (2016) Article DOI: 10.1016/j.bmcl.2016.05.065 BindingDB Entry DOI: 10.7270/Q22809HF
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM188529 (2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...) Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	7.5	n/a
National Institutes of Health					Assay Description TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...				ACS Chem Biol 11: 1925-33 (2016) Article DOI: 10.1021/acschembio.5b01047 BindingDB Entry DOI: 10.7270/Q2G15ZN9
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Mus musculus (Mouse))	BDBM50438870 (8-Chloro-10-(4-hydroxyphenyl)pyrimido[4,5-b]quinol...) Show SMILES Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O Show InChI InChI=1S/C17H10ClN3O3/c18-10-2-1-9-7-13-15(19-17(24)20-16(13)23)21(14(9)8-10)11-3-5-12(22)6-4-11/h1-8,22H,(H,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	7.5	n/a
National Institutes of Health					Assay Description TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...				ACS Chem Biol 11: 1925-33 (2016) Article DOI: 10.1021/acschembio.5b01047 BindingDB Entry DOI: 10.7270/Q2G15ZN9
					More data for this Ligand-Target Pair