BDBM50049295 7-ethyl-7-hydroxy-14-(3-hydroxymethyl-1-pyridiniumylmethyl)-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione::CHEMBL422886

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4cccc(CO)c4)c3Cn1c2=O

InChI Key: InChIKey=NXJYOFRZQLWWEV-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 = 50049295   

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))	BDBM50049295 (7-ethyl-7-hydroxy-14-(3-hydroxymethyl-1-pyridinium...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4cccc(CO)c4)c3Cn1c2=O Show InChI InChI=1S/C28H24N3O7/c1-2-28(35)20-7-22-25-18(11-31(22)26(33)19(20)13-36-27(28)34)17(10-30-5-3-4-15(9-30)12-32)16-6-23-24(38-14-37-23)8-21(16)29-25/h3-9,32,35H,2,10-14H2,1H3/q+1/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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				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