Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.4 BDBM50045359

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045359 ((20RS)-Amino-acetic acid 10-amino-4-ethyl-3,13-dio...) Show SMILES CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O Show InChI InChI=1S/C22H20N4O5/c1-2-22(31-18(27)8-23)14-7-17-19-11(6-12-15(24)4-3-5-16(12)25-19)9-26(17)20(28)13(14)10-30-21(22)29/h3-7H,2,8-10,23-24H2,1H3	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
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045359 ((20RS)-Amino-acetic acid 10-amino-4-ethyl-3,13-dio...) Show SMILES CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O Show InChI InChI=1S/C22H20N4O5/c1-2-22(31-18(27)8-23)14-7-17-19-11(6-12-15(24)4-3-5-16(12)25-19)9-26(17)20(28)13(14)10-30-21(22)29/h3-7H,2,8-10,23-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+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 intact human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair