Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM122490'   

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))	BDBM122490 (US8729061, 20) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H31ClF4N4O6S/c1-2-5-21(24(40)27(42)37-17-8-9-17)38-26(41)22-13-18(46(44,45)23-7-4-3-6-19(23)30(33,34)35)15-39(22)28(43)29(10-11-29)25-20(32)12-16(31)14-36-25/h3-4,6-7,12,14,17-18,21-22H,2,5,8-11,13,15H2,1H3,(H,37,42)(H,38,41)/t18-,21+,22+/m1/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	0.560	n/a	n/a	n/a	n/a	6.5	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 US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
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