BDBM50378912 CHEMBL1813809

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N/OCCCO)c3Cn1c2=O

InChI Key: InChIKey=CVQKLXGHYMLEGZ-JSYGFIKFSA-N

Data: 1 Kd

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 = 50378912   

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))	BDBM50378912 (CHEMBL1813809) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N/OCCCO)c3Cn1c2=O |r| Show InChI InChI=1S/C24H23N3O6/c1-2-24(31)18-10-20-21-16(12-27(20)22(29)17(18)13-32-23(24)30)15(11-25-33-9-5-8-28)14-6-3-4-7-19(14)26-21/h3-4,6-7,10-11,28,31H,2,5,8-9,12-13H2,1H3/b25-11-/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.65	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to topoisomerase 1				J Nat Prod 74: 1401-7 (2011) Article DOI: 10.1021/np100935s BindingDB Entry DOI: 10.7270/Q20V8DSJ
					More data for this Ligand-Target Pair