BDBM50033801 4-Ethyl-4-hydroxy-9-iodo-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-11-carboxylic acid::CHEMBL369836

SMILES: CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(I)cc4c(C(O)=O)c3Cn1c2=O

InChI Key: InChIKey=YYDNFDQASZNQGJ-UHFFFAOYSA-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 = 50033801   

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))	BDBM50033801 (4-Ethyl-4-hydroxy-9-iodo-3,13-dioxo-3,4,12,13-tetr...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(I)cc4c(C(O)=O)c3Cn1c2=O Show InChI InChI=1S/C21H15IN2O6/c1-2-21(29)13-6-15-17-11(7-24(15)18(25)12(13)8-30-20(21)28)16(19(26)27)10-5-9(22)3-4-14(10)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus				J Med Chem 38: 906-11 (1995) BindingDB Entry DOI: 10.7270/Q2XG9Q55
					More data for this Ligand-Target Pair