Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM50140549'   

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))	BDBM50140549 (3-((S)-2-Benzyloxycarbonylamino-2-cyclohexyl-acety...) Show SMILES OC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)CF Show InChI InChI=1S/C21H27FN2O6/c22-12-17(25)16(11-18(26)27)23-20(28)19(15-9-5-2-6-10-15)24-21(29)30-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13H2,(H,23,28)(H,24,29)(H,26,27)/t16?,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Caspase-3 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
					More data for this Ligand-Target Pair