Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10384'   

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))	BDBM10384 (methyl 2-{12-bromo-7-methyl-3,5-dioxo-4,8-diazatri...) Show SMILES COC(=O)CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C15H11BrN2O4/c1-7-12-13(9-5-8(16)3-4-10(9)17-7)15(21)18(14(12)20)6-11(19)22-2/h3-5H,6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair