Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.5 BDBM50512207

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50512207 (CHEMBL4471194) Show SMILES NC[C@@H]1CCN(C1)c1cc2n(Cc3ccc(cc3)-c3ccccc3)c(=O)n(N)c(=O)c2cc1F |r| Show InChI InChI=1S/C26H26FN5O2/c27-22-12-21-23(13-24(22)30-11-10-18(14-28)15-30)31(26(34)32(29)25(21)33)16-17-6-8-20(9-7-17)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14-16,28-29H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 1 using supercoiled pBR322 plasmid DNA as substrate after 15 mins by ethidium bromide staining based agarose gel el...				Eur J Med Chem 172: 109-130 (2019) Article DOI: 10.1016/j.ejmech.2019.03.040 BindingDB Entry DOI: 10.7270/Q2H1359V
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