Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50406998'   

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))	BDBM50406998 (CHEMBL2114242) Show SMILES CC[C@@](O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5c(N)c4cc3Cn2c(=O)c1CO |r| Show InChI InChI=1S/C21H19N3O7/c1-2-21(29,20(27)28)12-4-14-17-9(6-24(14)19(26)11(12)7-25)3-10-13(23-17)5-15-18(16(10)22)31-8-30-15/h3-5,25,29H,2,6-8,22H2,1H3,(H,27,28)/p-1/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
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