BDBM50033721 CHEMBL8794::Trichloro-acetic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)C(Cl)(Cl)Cl)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8]

InChI Key: InChIKey=IYWYTBNVHUFFAS-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 = 50033721   

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))	BDBM50033721 (CHEMBL8794 | Trichloro-acetic acid (R)-1-(5,8-dihy...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)C(Cl)(Cl)Cl)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3| Show InChI InChI=1S/C18H15Cl3O6/c1-8(2)3-6-13(27-17(26)18(19,20)21)9-7-12(24)14-10(22)4-5-11(23)15(14)16(9)25/h3-7,22-25H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.15E+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
					More data for this Ligand-Target Pair