Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM109856'   

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))	BDBM109856 (US8609681, 91) Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(C2)c2ccc(OC)cc2)CC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C27H37F2N5O3/c1-3-8-27(28,29)17-22(23(35)32-26(18-30)9-10-26)31-24(36)33-14-11-25(12-15-33)13-16-34(19-25)20-4-6-21(37-2)7-5-20/h4-7,22H,3,8-17,19H2,1-2H3,(H,31,36)(H,32,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...				US Patent US8609681 (2013) BindingDB Entry DOI: 10.7270/Q2F47MSF
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