BDBM50080280 2-(1-Hydroxy-ethyl)-5,8-dimethoxy-[1,4]naphthoquinone::CHEMBL78432

SMILES: COc1ccc(OC)c2c(O)c(cc(O)c12)C(C)=O

InChI Key: InChIKey=OQPJLMDIRAUPSD-UHFFFAOYSA-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 = 50080280   

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 I (Topo I) (Homo sapiens (Human))	BDBM50080280 (2-(1-Hydroxy-ethyl)-5,8-dimethoxy-[1,4]naphthoquin...) Show SMILES COc1ccc(OC)c2c(O)c(cc(O)c12)C(C)=O Show InChI InChI=1S/C14H14O5/c1-7(15)8-6-9(16)12-10(18-2)4-5-11(19-3)13(12)14(8)17/h4-6,16-17H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus				Bioorg Med Chem Lett 9: 2407-12 (1999) BindingDB Entry DOI: 10.7270/Q2TH8KVH
					More data for this Ligand-Target Pair