BindingDB PrimarySearch

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10653'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM10653 ((3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.95	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				J Med Chem 47: 2466-74 (2004) Article DOI: 10.1021/jm0305523 BindingDB Entry DOI: 10.7270/Q24F1NZ4
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-3 (Homo sapiens (Human))	BDBM10653 ((3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 14: 805-8 (2004) Article DOI: 10.1016/j.bmcl.2003.10.064 BindingDB Entry DOI: 10.7270/Q20P0X88
Merck Frosst Canada & Co.					More data for this Ligand-Target Pair				3D Structure (crystal)