Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50252544'   

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))	BDBM50252544 (6-(4-chlorobenzyl)-7-(2-cycloheptylethyl)-7H-pyrro...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1 Show InChI InChI=1S/C23H25ClN4/c24-20-9-7-18(8-10-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-11-17-5-3-1-2-4-6-17/h7-10,14,16-17H,1-6,11-13H2	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	840	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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