Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50263511'   

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))	BDBM50263511 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(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	12	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
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