Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.5 BDBM50487401

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

Found 1 hit 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
Caspase-3 (Homo sapiens (Human))	BDBM50487401 (CHEMBL2260694) Show SMILES COCCNS(=O)(=O)c1ccc2nc(C)c3C(=O)C(C(=O)c3c2c1)c1c(C)nn(C)c1C Show InChI InChI=1S/C22H24N4O5S/c1-11-18-19(22(28)20(21(18)27)17-12(2)25-26(4)13(17)3)15-10-14(6-7-16(15)24-11)32(29,30)23-8-9-31-5/h6-7,10,20,23H,8-9H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.10E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of caspase-3 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-007-9075-y BindingDB Entry DOI: 10.7270/Q26T0QJM
					More data for this Ligand-Target Pair