BDBM50449888 CHEMBL4172196

SMILES: COc1cc(cc(OC)c1OC)C(=O)N\C(=C\c1cc(Br)cc(Br)c1OC(C)=O)C(=O)NNC(N)=S

InChI Key: InChIKey=ZVYOIXCLKHDQMF-GIDUJCDVSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449888   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA topoisomerase II (Homo sapiens (Human))	BDBM50449888 (CHEMBL4172196) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\C(=C\c1cc(Br)cc(Br)c1OC(C)=O)C(=O)NNC(N)=S Show InChI InChI=1S/C22H22Br2N4O7S/c1-10(29)35-18-11(5-13(23)9-14(18)24)6-15(21(31)27-28-22(25)36)26-20(30)12-7-16(32-2)19(34-4)17(8-12)33-3/h5-9H,1-4H3,(H,26,30)(H,27,31)(H3,25,28,36)/b15-6+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Port Said University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2beta after 2 hrs by ELISA				Eur J Med Chem 156: 563-579 (2018) Article DOI: 10.1016/j.ejmech.2018.07.003 BindingDB Entry DOI: 10.7270/Q20G3NPD
					More data for this Ligand-Target Pair