Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50255950'   

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))	BDBM50255950 (4-(Butane-1-sulfonylamino)-N-[1-(2S-ethyl-4-oxo-te...) Show SMILES CCCCS(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1(C)CCCC1)C(=O)N[C@H]1[C@H](CC)OCC1=O |r| Show InChI InChI=1S/C26H39N3O6S/c1-4-6-15-36(33,34)29-19-11-9-18(10-12-19)24(31)27-20(16-26(3)13-7-8-14-26)25(32)28-23-21(30)17-35-22(23)5-2/h9-12,20,22-23,29H,4-8,13-17H2,1-3H3,(H,27,31)(H,28,32)/t20-,22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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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