Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50304289'   

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))	BDBM50304289 (1-(4-Methoxyphenyl)-6,7-methylenedioxy-2-(4-methyl...) Show SMILES COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12 Show InChI InChI=1S/C25H21N3O5S/c1-31-18-7-3-15(4-8-18)24-20-13-22-21(32-14-33-22)11-16(20)12-23(29)28(24)27-25(30)26-17-5-9-19(34-2)10-6-17/h3-13H,14H2,1-2H3,(H2,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem 17: 6505-11 (2009) Article DOI: 10.1016/j.bmc.2009.08.013 BindingDB Entry DOI: 10.7270/Q29C6ZC0
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