Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50003627   

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/2-beta (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 KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity in a DNA cleavage assay using HeLa DNA topoisomerase II yielding its effective concentration				J Med Chem 45: 5564-75 (2002) Article DOI: 10.1021/jm010057b BindingDB Entry DOI: 10.7270/Q2XS5Z46
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50473977 (CHEMBL538994) Show SMILES Cl.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1nccs1 Show InChI InChI=1S/C16H14FN5O3S.ClH/c17-11-5-9-12(23)10(15(24)25)7-22(16-19-2-4-26-16)13(9)20-14(11)21-3-1-8(18)6-21;/h2,4-5,7-8H,1,3,6,18H2,(H,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity in a DNA cleavage assay using HeLa DNA topoisomerase II yielding its effective concentration				J Med Chem 45: 5564-75 (2002) Article DOI: 10.1021/jm010057b BindingDB Entry DOI: 10.7270/Q2XS5Z46
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta (Homo sapiens (Human))	BDBM50045698 (1-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...) Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C20H16F2N2O3/c1-9-5-11(6-10(2)23-9)16-15(21)7-13-18(17(16)22)24(12-3-4-12)8-14(19(13)25)20(26)27/h5-8,12H,3-4H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity in a DNA cleavage assay using HeLa DNA topoisomerase II yielding its effective concentration				J Med Chem 45: 5564-75 (2002) Article DOI: 10.1021/jm010057b BindingDB Entry DOI: 10.7270/Q2XS5Z46
					More data for this Ligand-Target Pair