Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 783.7 BDBM50055656

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))	BDBM50055656 (10-[2-[1-(Methoxymethyl)-4-[1-(methoxymethyl)-4-bu...) Show SMILES CCCC(=O)Nc1cn(COC)c(n1)C(=O)Nc1cn(COC)c(n1)C(=O)NCCOc1ccc2nc-3c(Cn4c-3cc3c(COC(=O)C3(O)CC)c4=O)cc2c1 Show InChI InChI=1S/C38H41N9O10/c1-5-7-30(48)41-28-16-46(20-55-4)33(42-28)35(50)44-29-17-45(19-54-3)32(43-29)34(49)39-10-11-56-23-8-9-26-21(13-23)12-22-15-47-27(31(22)40-26)14-25-24(36(47)51)18-57-37(52)38(25,53)6-2/h8-9,12-14,16-17,53H,5-7,10-11,15,18-20H2,1-4H3,(H,39,49)(H,41,48)(H,44,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibit supercoil relaxation property of topoisomerase I.				J Med Chem 40: 216-25 (1997) Article DOI: 10.1021/jm9605804 BindingDB Entry DOI: 10.7270/Q2F47PS8
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