Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50376509'   

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))	BDBM50376509 (CHEMBL408562) Show SMILES CC(C)(C)CNc1nc(ncc1C#CCn1cnc(Cl)c1Cl)C#N Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)9-21-15-11(8-20-12(7-19)23-15)5-4-6-24-10-22-13(17)14(24)18/h8,10H,6,9H2,1-3H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	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 fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
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