Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50320062'   

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))	BDBM50320062 (CHEMBL1085967 | methyl 4-((2S)-1-(1-(benzyloxy)-4-...) Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C(=O)OC)c(NC(=O)OC(C)(C)C)c1 |r| Show InChI InChI=1S/C38H50N4O11/c1-6-52-31(43)21-39-35(47)32(44)30(23-51-22-25-15-11-8-12-16-25)41-34(46)29(19-24-13-9-7-10-14-24)40-33(45)26-17-18-27(36(48)50-5)28(20-26)42-37(49)53-38(2,3)4/h8,11-12,15-18,20,24,29-30H,6-7,9-10,13-14,19,21-23H2,1-5H3,(H,39,47)(H,40,45)(H,41,46)(H,42,49)/t29-,30?/m0/s1	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	49.2	n/a	n/a	n/a	n/a	n/a	n/a
National Tsing Hua University Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay				J Med Chem 53: 4545-9 (2010) Article DOI: 10.1021/jm100089e BindingDB Entry DOI: 10.7270/Q2TX3FJ2
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