BDBM50378911 CHEMBL1813808

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N\c4ccccc4C)c3Cn1c2=O

InChI Key: InChIKey=BRGCWZJREJZRAZ-RJCFZKRGSA-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 = 50378911   

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))	BDBM50378911 (CHEMBL1813808) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N\c4ccccc4C)c3Cn1c2=O |r| Show InChI InChI=1S/C28H23N3O4/c1-3-28(34)21-12-24-25-19(14-31(24)26(32)20(21)15-35-27(28)33)18(17-9-5-7-11-23(17)30-25)13-29-22-10-6-4-8-16(22)2/h4-13,34H,3,14-15H2,1-2H3/b29-13+/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.296	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