Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50033705   

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))	BDBM50349933 (CHEMBL1812144) Show SMILES ClC1=C2OC=C(CC=C)c3cccc(C(=O)C1=O)c23 |c:1,t:4| Show InChI InChI=1S/C15H9ClO3/c1-2-4-8-7-19-15-11-9(8)5-3-6-10(11)13(17)14(18)12(15)16/h2-3,5-7H,1,4H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349934 (CHEMBL1812139) Show SMILES CC1COC2=CC(=O)C(=O)c3cccc1c23 |t:4| Show InChI InChI=1S/C13H10O3/c1-7-6-16-11-5-10(14)13(15)9-4-2-3-8(7)12(9)11/h2-5,7H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349932 (CHEMBL1812137) Show SMILES OC1(Cc2ccccc2)COC2=CC(=O)C(=O)c3cccc1c23 |t:12| Show InChI InChI=1S/C19H14O4/c20-15-9-16-17-13(18(15)21)7-4-8-14(17)19(22,11-23-16)10-12-5-2-1-3-6-12/h1-9,22H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair				3D Structure (crystal)