Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50121298'   

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))	BDBM50121298 (2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-prop...) Show SMILES NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C44H49N7O4S/c45-44(46)48-24-9-16-37(50-43(55)39(29-56)49-40(52)28-31-17-20-35(21-18-31)33-12-5-2-6-13-33)42(54)51-38(41(53)47-25-23-30-10-3-1-4-11-30)27-32-19-22-34-14-7-8-15-36(34)26-32/h1-8,10-15,17-22,26,37-39,56H,9,16,23-25,27-29H2,(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,45,46,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council of Canada Curated by ChEMBL					Assay Description Inhibitory activity against human Cathepsin L				J Med Chem 45: 5321-9 (2002) BindingDB Entry DOI: 10.7270/Q23B5ZH6
					More data for this Ligand-Target Pair