Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.5 BDBM50033727

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))	BDBM50033727 (CHEMBL9518 | Diphenyl-acetic acid (R)-1-(5,8-dihyd...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3| Show InChI InChI=1S/C30H26O6/c1-18(2)13-16-25(21-17-24(33)27-22(31)14-15-23(32)28(27)29(21)34)36-30(35)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,26,31-34H,1-2H3	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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