BDBM50049298 7-ethyl-7-hydroxy-14-(1H-imidazol-3-ium-3-ylmethyl)-(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::CHEMBL163007

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(Cn4ccnc4)c3Cn1c2=O

InChI Key: InChIKey=DBEJHSGOSKXNGU-SANMLTNESA-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 = 50049298   

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))	BDBM50049298 (7-ethyl-7-hydroxy-14-(1H-imidazol-3-ium-3-ylmethyl...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(Cn4ccnc4)c3Cn1c2=O Show InChI InChI=1S/C26H22N4O6/c1-2-26(33)18-8-20-23-16(11-30(20)24(31)17(18)12-36-25(26)32)15(10-29-4-3-27-13-29)14-7-21-22(9-19(14)28-23)35-6-5-34-21/h3-4,7-9,13,33H,2,5-6,10-12H2,1H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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