BDBM50045390 (20RS)-sodium 2-hydroxy-2-(8-hydroxymethyl-9-oxo-9,11-dihydro[1,3]dioxolo[5,4-g]indolizino[1,2-b]quinolin-7-yl)butanoate::(20S)-sodium 2-hydroxy-2-(8-hydroxymethyl-9-oxo-9,11-dihydro[1,3]dioxolo[5,4-g]indolizino[1,2-b]quinolin-7-yl)butanoate::CHEMBL90436

SMILES: CCC(O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5cc4cc3Cn2c(=O)c1CO

InChI Key: InChIKey=COYBXTJDQFWGTE-UHFFFAOYSA-M

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 = 50045390   

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))	BDBM50045390 ((20RS)-sodium 2-hydroxy-2-(8-hydroxymethyl-9-oxo-9...) Show SMILES CCC(O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5cc4cc3Cn2c(=O)c1CO Show InChI InChI=1S/C21H18N2O7/c1-2-21(28,20(26)27)13-5-15-18-11(7-23(15)19(25)12(13)8-24)3-10-4-16-17(30-9-29-16)6-14(10)22-18/h3-6,24,28H,2,7-9H2,1H3,(H,26,27)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair