Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50444316'   

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 (Mus musculus (Mouse))	BDBM50444316 (CHEMBL3093933) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1C[C@H](CN1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O4S/c23-15-22(11-12-22)24-20(26)19-13-18(30(28,29)17-9-5-2-6-10-17)14-25(19)21(27)16-7-3-1-4-8-16/h1-10,18-19H,11-14H2,(H,24,26)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pharma Research and Early Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay				J Med Chem 56: 9789-801 (2014) Article DOI: 10.1021/jm401528k BindingDB Entry DOI: 10.7270/Q2N58NTW
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