Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50249695'   

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 1 (Homo sapiens (Human))	BDBM50249695 (2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-3-yl]...) Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)nc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C33H29N5O11/c39-11-14-2-1-13(9-34-14)10-35-37-31(46)24-22-17-5-3-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-6-4-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer				J Med Chem 52: 3225-37 (2009) Article DOI: 10.1021/jm801641t BindingDB Entry DOI: 10.7270/Q23F4PJ0
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Mus musculus)	BDBM50249695 (2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-3-yl]...) Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)nc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C33H29N5O11/c39-11-14-2-1-13(9-34-14)10-35-37-31(46)24-22-17-5-3-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-6-4-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method				J Med Chem 52: 3225-37 (2009) Article DOI: 10.1021/jm801641t BindingDB Entry DOI: 10.7270/Q23F4PJ0
					More data for this Ligand-Target Pair