Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM3521'   

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))	BDBM3521 (US8524710, 84) Show SMILES FC(F)(F)CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1cccc(Cl)c1Cl)C#N |r| Show InChI InChI=1S/C18H14Cl2F3N5O3S/c19-12-2-1-3-13(15(12)20)32(30,31)10-4-5-28(8-10)16-11(7-25-14(6-24)27-16)17(29)26-9-18(21,22)23/h1-3,7,10H,4-5,8-9H2,(H,26,29)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8524710 (2013) BindingDB Entry DOI: 10.7270/Q2Z31X8G
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