Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50255848'   

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))	BDBM50255848 (CHEMBL512367 | N-((S)-1-((2S,3S)-2-ethyl-4-oxotetr...) Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1 |r| Show InChI InChI=1S/C18H26N2O4S/c1-5-14-15(13(21)9-24-14)20-17(23)12(8-18(2,3)4)19-16(22)11-6-7-25-10-11/h6-7,10,12,14-15H,5,8-9H2,1-4H3,(H,19,22)(H,20,23)/t12-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay				Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9
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