Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50255409'   

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))	BDBM50255409 (6-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...) Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)nc1 |r| Show InChI InChI=1S/C27H34N4O6S/c1-3-22-24(21(32)17-37-22)30-26(34)20(15-27(2)13-7-8-14-27)29-25(33)18-11-12-23(28-16-18)31-38(35,36)19-9-5-4-6-10-19/h4-6,9-12,16,20,22,24H,3,7-8,13-15,17H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t20-,22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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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