Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.2 BDBM50487389

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))	BDBM50487389 (CHEMBL2260691) Show SMILES Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C19H16BrN3O2/c1-8-15-16(12-7-11(20)5-6-13(12)21-8)19(25)17(18(15)24)14-9(2)22-23(4)10(14)3/h5-7,17H,1-4H3	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	3.60E+8	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