Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50263609'   

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))	BDBM50263609 (2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30)	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	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 S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair