BDBM50049294 8-ethyl-8-hydroxy-15-(1-pyridiniumylmethyl)-(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::CHEMBL423808

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O

InChI Key: InChIKey=KFDRYMKNYWBGSS-NDEPHWFRSA-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 = 50049294   

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))	BDBM50049294 (8-ethyl-8-hydroxy-15-(1-pyridiniumylmethyl)-(8S)-2...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O Show InChI InChI=1S/C28H24N3O6/c1-2-28(34)20-11-22-25-18(14-31(22)26(32)19(20)15-37-27(28)33)17(13-30-6-4-3-5-7-30)16-10-23-24(12-21(16)29-25)36-9-8-35-23/h3-7,10-12,34H,2,8-9,13-15H2,1H3/q+1/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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
					More data for this Ligand-Target Pair