Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50463227'   

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
Cathepsin S (Homo sapiens (Human))	BDBM50463227 (CHEMBL4250979) Show SMILES O[C@@H](CNc1nc(nc(n1)N1CCOCC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H18N6O2/c17-10-14-19-15(18-11-13(23)12-4-2-1-3-5-12)21-16(20-14)22-6-8-24-9-7-22/h1-5,13,23H,6-9,11H2,(H,18,19,20,21)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
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