Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-beta' and Ligand = 'BDBM50045004'   

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-beta (Homo sapiens (Human))	BDBM50045004 (9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...) Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50045004 (9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...) Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50045004 (9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...) Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sterling-Winthrop Research Institute Curated by ChEMBL					Assay Description Gyrase inhibitory activity against Escherichia coli				J Med Chem 31: 1694-7 (1988) BindingDB Entry DOI: 10.7270/Q2RX9F84
					More data for this Ligand-Target Pair