Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50401768'   

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))	BDBM50401768 (CHEMBL2207560) Show SMILES O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C18H28N4O3/c19-13-18(6-7-18)21-16(23)15(12-14-4-2-1-3-5-14)20-17(24)22-8-10-25-11-9-22/h14-15H,1-12H2,(H,20,24)(H,21,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...				Bioorg Med Chem Lett 22: 7189-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.054 BindingDB Entry DOI: 10.7270/Q2R212JH
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50401768 (CHEMBL2207560) Show SMILES O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C18H28N4O3/c19-13-18(6-7-18)21-16(23)15(12-14-4-2-1-3-5-14)20-17(24)22-8-10-25-11-9-22/h14-15H,1-12H2,(H,20,24)(H,21,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells assessed as IL-2 level				Bioorg Med Chem Lett 22: 7189-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.054 BindingDB Entry DOI: 10.7270/Q2R212JH
					More data for this Ligand-Target Pair