BDBM50045389 (20R)-sodium 2-(13-amino-8-hydroxymethyl-9-oxo-9,11-dihydro[1,3]dioxolo[5,4-g]indolizino[1,2-b]quinolin-7-yl)-2-hydroxybutanoate::(20RS)-sodium 2-(13-amino-8-hydroxymethyl-9-oxo-9,11-dihydro[1,3]dioxolo[5,4-g]indolizino[1,2-b]quinolin-7-yl)-2-hydroxybutanoate::(20S)-sodium 2-(13-amino-8-hydroxymethyl-9-oxo-9,11-dihydro[1,3]dioxolo[5,4-g]indolizino[1,2-b]quinolin-7-yl)-2-hydroxybutanoate::CHEMBL330072

SMILES: CCC(O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5c(N)c4cc3Cn2c(=O)c1CO

InChI Key: InChIKey=SLFYCJQGSOJVPB-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 = 50045389   

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))	BDBM50045389 ((20R)-sodium 2-(13-amino-8-hydroxymethyl-9-oxo-9,1...) Show SMILES CCC(O)(C([O-])=O)c1cc2-c3nc4cc5OCOc5c(N)c4cc3Cn2c(=O)c1CO Show InChI InChI=1S/C21H19N3O7/c1-2-21(29,20(27)28)12-4-14-17-9(6-24(14)19(26)11(12)7-25)3-10-13(23-17)5-15-18(16(10)22)31-8-30-15/h3-5,25,29H,2,6-8,22H2,1H3,(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	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