Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50239534'   

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))	BDBM50239534 (CHEMBL4098769) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc(OCc2cn(CCCCN=[N+]=[N-])nn2)cc1 Show InChI InChI=1S/C25H30N10O/c1-33-12-14-34(15-13-33)21-6-9-23-24(16-21)29-25(28-23)19-4-7-22(8-5-19)36-18-20-17-35(32-30-20)11-3-2-10-27-31-26/h4-9,16-17H,2-3,10-15,18H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 60: 4904-4922 (2017) Article DOI: 10.1021/acs.jmedchem.7b00191 BindingDB Entry DOI: 10.7270/Q2XW4N0B
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