Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.5 BDBM50033712

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))	BDBM50033712 (CHEMBL275029 | Decanoic acid (R)-1-(5,8-dihydroxy-...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:13.13| Show InChI InChI=1S/C26H34O6/c1-4-5-6-7-8-9-10-11-23(30)32-22(15-12-17(2)3)18-16-21(29)24-19(27)13-14-20(28)25(24)26(18)31/h12-16,27-29,31H,4-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibitory activity against DNA topoisomerase-I obtained from Hela cells				J Med Chem 38: 1044-7 (1995) BindingDB Entry DOI: 10.7270/Q2610ZCB
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