Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50247192'   

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))	BDBM50247192 ((S)-2-amino-N-((S)-5-phenyl-1-(phenylsulfonyl)pent...) Show SMILES CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H28N2O3S/c1-2-9-21(23)22(25)24-19(15-14-18-10-5-3-6-11-18)16-17-28(26,27)20-12-7-4-8-13-20/h3-8,10-13,16-17,19,21H,2,9,14-15,23H2,1H3,(H,24,25)/b17-16+/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem 17: 1064-70 (2009) Article DOI: 10.1016/j.bmc.2008.02.002 BindingDB Entry DOI: 10.7270/Q20R9P6K
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