Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 578.4 BDBM50164200

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))	BDBM50164200 (2,3,9,10-tetrafluoro-13-(5-fluoro-3,4-dihydroxy-6-...) Show SMILES OCC1OC(C(O)C(O)C1F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12 Show InChI InChI=1S/C26H15F5N2O6S/c27-8-1-6-12(3-10(8)29)33(26-22(36)21(35)19(31)13(5-34)39-26)20-15(6)17-18(25(38)32-24(17)37)16-7-2-9(28)11(30)4-14(7)40-23(16)20/h1-4,13,19,21-22,26,34-36H,5H2,(H,32,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Topoisomerase I activity for single-strand breaks in the DNA substrate				J Med Chem 48: 2258-61 (2005) Article DOI: 10.1021/jm049090z BindingDB Entry DOI: 10.7270/Q20G3JP5
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