Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50320059'   

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))	BDBM50320059 (CHEMBL1085981 | methyl 2-(4-(benzyloxy)-3-((2S)-3-...) Show SMILES CCCCCC1OC(=O)C(=CC1C)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(COCc1ccccc1)C(=O)C(=O)NCC(=O)OC |r,c:9| Show InChI InChI=1S/C35H49N3O9/c1-4-5-8-17-29-23(2)18-26(35(44)47-29)32(41)37-27(19-24-13-9-6-10-14-24)33(42)38-28(22-46-21-25-15-11-7-12-16-25)31(40)34(43)36-20-30(39)45-3/h7,11-12,15-16,18,23-24,27-29H,4-6,8-10,13-14,17,19-22H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)/t23?,27-,28?,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42.3	n/a	n/a	n/a	n/a	n/a	n/a
National Tsing Hua University Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay				J Med Chem 53: 4545-9 (2010) Article DOI: 10.1021/jm100089e BindingDB Entry DOI: 10.7270/Q2TX3FJ2
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