Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha' and Ligand = 'BDBM50505835'   

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))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair