BDBM50033776 7-[5,6-Difluoro-2-oxo-1,2-dihydro-indol-(3E)-ylidene]-4-ethyl-4-hydroxy-1,4,7,8-tetrahydro-pyrano[3,4-f]indolizine-3,6,10-trione::CHEMBL353033

SMILES: CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(F)c(F)cc12

InChI Key: InChIKey=GPYDLMKTFLERQH-CXUHLZMHSA-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 = 50033776   

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))	BDBM50033776 (7-[5,6-Difluoro-2-oxo-1,2-dihydro-indol-(3E)-ylide...) Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(F)c(F)cc12 Show InChI InChI=1S/C21H14F2N2O6/c1-2-21(30)11-4-15-17(26)9(6-25(15)19(28)10(11)7-31-20(21)29)16-8-3-12(22)13(23)5-14(8)24-18(16)27/h3-5,30H,2,6-7H2,1H3,(H,24,27)/b16-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine topoisomerase I, using cleavable complex assay.				J Med Chem 38: 906-11 (1995) BindingDB Entry DOI: 10.7270/Q2XG9Q55
					More data for this Ligand-Target Pair