Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50273289'   

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))	BDBM50273289 (2-Cyano-4-(1-methyl-piperidin-4-yloxy)-6-[(spiro[2...) Show SMILES CN1CCC(CC1)Oc1nc(nc(NCC2CCC3(CC3)CC2)c1C(=O)NCc1ccccc1)C#N Show InChI InChI=1S/C28H36N6O2/c1-34-15-9-22(10-16-34)36-27-24(26(35)31-19-20-5-3-2-4-6-20)25(32-23(17-29)33-27)30-18-21-7-11-28(12-8-21)13-14-28/h2-6,21-22H,7-16,18-19H2,1H3,(H,31,35)(H,30,32,33)	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	1	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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