Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048207   

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
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM22984 ((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208207 (CHEMBL3883611) Show SMILES CN(C)CCCCNc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C21H23N5/c1-26(2)14-8-7-13-22-21-20-19(15-9-3-4-10-16(15)25-21)23-17-11-5-6-12-18(17)24-20/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208197 (CHEMBL3884560) Show SMILES CN(C)CCCNc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C20H21N5/c1-25(2)13-7-12-21-20-19-18(14-8-3-4-9-15(14)24-20)22-16-10-5-6-11-17(16)23-19/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208208 (CHEMBL3883967) Show SMILES CCN(CC)CCCNc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C22H25N5/c1-3-27(4-2)15-9-14-23-22-21-20(16-10-5-6-11-17(16)26-22)24-18-12-7-8-13-19(18)25-21/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208203 (CHEMBL3885093) Show SMILES CN(C)CCSc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C19H18N4S/c1-23(2)11-12-24-19-18-17(13-7-3-4-8-14(13)22-19)20-15-9-5-6-10-16(15)21-18/h3-10H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208202 (CHEMBL3885280) Show SMILES C(CN1CCCCC1)Nc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C22H23N5/c1-6-13-27(14-7-1)15-12-23-22-21-20(16-8-2-3-9-17(16)26-22)24-18-10-4-5-11-19(18)25-21/h2-5,8-11H,1,6-7,12-15H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208194 (CHEMBL3883774) Show SMILES CN(C)CCNc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C19H19N5/c1-24(2)12-11-20-19-18-17(13-7-3-4-8-14(13)23-19)21-15-9-5-6-10-16(15)22-18/h3-10H,11-12H2,1-2H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208199 (CHEMBL3884844) Show SMILES CN(C)CCCOc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C20H20N4O/c1-24(2)12-7-13-25-20-19-18(14-8-3-4-9-15(14)23-20)21-16-10-5-6-11-17(16)22-19/h3-6,8-11H,7,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208198 (CHEMBL3884562) Show SMILES CN(C)CCCCn1c2ccccc2c2nc3ccccc3nc2c1=O Show InChI InChI=1S/C21H22N4O/c1-24(2)13-7-8-14-25-18-12-6-3-9-15(18)19-20(21(25)26)23-17-11-5-4-10-16(17)22-19/h3-6,9-12H,7-8,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208195 (CHEMBL3883657) Show SMILES CN(C)CCn1c2ccccc2c2nc3ccccc3nc2c1=O Show InChI InChI=1S/C19H18N4O/c1-22(2)11-12-23-16-10-6-3-7-13(16)17-18(19(23)24)21-15-9-5-4-8-14(15)20-17/h3-10H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208200 (CHEMBL3884650) Show SMILES CCN(CC)CCn1c2ccccc2c2nc3ccccc3nc2c1=O Show InChI InChI=1S/C21H22N4O/c1-3-24(4-2)13-14-25-18-12-8-5-9-15(18)19-20(21(25)26)23-17-11-7-6-10-16(17)22-19/h5-12H,3-4,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208211 (CHEMBL3883996) Show SMILES O=c1[nH]c2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C15H9N3O/c19-15-14-13(9-5-1-2-6-10(9)18-15)16-11-7-3-4-8-12(11)17-14/h1-8H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208193 (CHEMBL3883595) Show SMILES C(CN1CCOCC1)Nc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C21H21N5O/c1-2-6-16-15(5-1)19-20(24-18-8-4-3-7-17(18)23-19)21(25-16)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208209 (CHEMBL3883473) Show SMILES CN(C)CCCn1c2ccccc2c2nnc(C)cc2c1=O Show InChI InChI=1S/C17H20N4O/c1-12-11-14-16(19-18-12)13-7-4-5-8-15(13)21(17(14)22)10-6-9-20(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208210 (CHEMBL3883394) Show SMILES CCN(CC)CCOc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C21H22N4O/c1-3-25(4-2)13-14-26-21-20-19(15-9-5-6-10-16(15)24-21)22-17-11-7-8-12-18(17)23-20/h5-12H,3-4,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208206 (CHEMBL3885393) Show SMILES O=c1n(CCN2CCOCC2)c2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C21H20N4O2/c26-21-20-19(22-16-6-2-3-7-17(16)23-20)15-5-1-4-8-18(15)25(21)10-9-24-11-13-27-14-12-24/h1-8H,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208204 (CHEMBL3884054) Show SMILES CN(C)CCn1c2ccccc2c2nnc(C)cc2c1=O Show InChI InChI=1S/C16H18N4O/c1-11-10-13-15(18-17-11)12-6-4-5-7-14(12)20(16(13)21)9-8-19(2)3/h4-7,10H,8-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208196 (CHEMBL3883370) Show SMILES CCN(CC)CCNc1nc2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C21H23N5/c1-3-26(4-2)14-13-22-21-20-19(15-9-5-6-10-16(15)25-21)23-17-11-7-8-12-18(17)24-20/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208201 (CHEMBL3883419) Show SMILES CN(C)CCCn1c2ccccc2c2nc3ccccc3nc2c1=O Show InChI InChI=1S/C20H20N4O/c1-23(2)12-7-13-24-17-11-6-3-8-14(17)18-19(20(24)25)22-16-10-5-4-9-15(16)21-18/h3-6,8-11H,7,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50208205 (CHEMBL3883499) Show SMILES CN(CCCCCNc1nc2ccccc2c2nc3ccccc3nc12)Cc1ccccc1 Show InChI InChI=1S/C28H29N5/c1-33(20-21-12-4-2-5-13-21)19-11-3-10-18-29-28-27-26(22-14-6-7-15-23(22)32-28)30-24-16-8-9-17-25(24)31-27/h2,4-9,12-17H,3,10-11,18-20H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis				Eur J Med Chem 123: 704-717 (2016) Article DOI: 10.1016/j.ejmech.2016.07.063 BindingDB Entry DOI: 10.7270/Q2TQ63HJ
					More data for this Ligand-Target Pair