Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50251942'   

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
Procathepsin L (Homo sapiens (Human))	BDBM50251942 (CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...) Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
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