BDBM50049292 8-ethyl-8-hydroxy-15-pyrazin-1-ium-1-ylmethyl-(8S)-2,3,8,9,12,14-hexahydro-11H-[1,4]dioxino[3,2-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12-dione::CHEMBL350118

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O

InChI Key: InChIKey=SXEKZVUTWLJFNH-MHZLTWQESA-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 = 50049292   

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))	BDBM50049292 (8-ethyl-8-hydroxy-15-pyrazin-1-ium-1-ylmethyl-(8S)...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O Show InChI InChI=1S/C27H23N4O6/c1-2-27(34)19-10-21-24-17(13-31(21)25(32)18(19)14-37-26(27)33)16(12-30-5-3-28-4-6-30)15-9-22-23(11-20(15)29-24)36-8-7-35-22/h3-6,9-11,34H,2,7-8,12-14H2,1H3/q+1/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research Institute Curated by ChEMBL					Assay Description Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymus				J Med Chem 39: 713-9 (1996) Article DOI: 10.1021/jm950507y BindingDB Entry DOI: 10.7270/Q2416W41
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