BDBM50049297 7-ethyl-7-hydroxy-14-(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::CHEMBL162904

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O

InChI Key: InChIKey=ITDYGAOQYQOVGV-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 = 50049297   

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))	BDBM50049297 (7-ethyl-7-hydroxy-14-(1-pyridiniumylmethyl)-(7S)-7...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O Show InChI InChI=1S/C27H22N3O6/c1-2-27(33)19-9-21-24-17(12-30(21)25(31)18(19)13-34-26(27)32)16(11-29-6-4-3-5-7-29)15-8-22-23(36-14-35-22)10-20(15)28-24/h3-10,33H,2,11-14H2,1H3/q+1/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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