Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.6 BDBM50520811

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))	BDBM50520811 (CHEMBL4215137) Show SMILES COc1ccc(cc1)[C@@H]1C[C@H](c2ccc(C)cc2)c2cccc(P(c3ccccc3)c3ccccc3)c2N1 |r| Show InChI InChI=1S/C35H32NOP/c1-25-16-18-26(19-17-25)32-24-33(27-20-22-28(37-2)23-21-27)36-35-31(32)14-9-15-34(35)38(29-10-5-3-6-11-29)30-12-7-4-8-13-30/h3-23,32-33,36H,24H2,1-2H3/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Le£n Curated by ChEMBL					Assay Description Inhibition of human Top1B expressed in Top1B deficient Saccharomyces cerevisiae EKY3 assessed as decrease in relaxation of supercoiled pSK DNA preinc...				Eur J Med Chem 162: 18-31 (2019) Article DOI: 10.1016/j.ejmech.2018.10.065 BindingDB Entry DOI: 10.7270/Q2TM7FH1
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