Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50263668'   

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))	BDBM50263668 (2-Cyano-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[...) Show SMILES CNC(=O)c1c(NCC2CCC3(CC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-16-18-3-8-24(9-4-18)10-11-24)28-19(15-25)29-23(20)32-14-7-17-5-12-30(2)13-6-17/h17-18H,3-14,16H2,1-2H3,(H,26,31)(H,27,28,29)	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	2	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: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
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