Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50208843'   

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))	BDBM50208843 ((R)-N-((S)-1-cyano-3-phenylpropyl)-2-(cyclohexylme...) Show SMILES O=C(C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C#N)N1CCOCC1 Show InChI InChI=1S/C25H35N3O3/c26-19-23(12-11-20-7-3-1-4-8-20)27-25(30)22(17-21-9-5-2-6-10-21)18-24(29)28-13-15-31-16-14-28/h1,3-4,7-8,21-23H,2,5-6,9-18H2,(H,27,30)/t22-,23+/m1/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	171	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50208843 ((R)-N-((S)-1-cyano-3-phenylpropyl)-2-(cyclohexylme...) Show SMILES O=C(C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C#N)N1CCOCC1 Show InChI InChI=1S/C25H35N3O3/c26-19-23(12-11-20-7-3-1-4-8-20)27-25(30)22(17-21-9-5-2-6-10-21)18-24(29)28-13-15-31-16-14-28/h1,3-4,7-8,21-23H,2,5-6,9-18H2,(H,27,30)/t22-,23+/m1/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	n/a	25	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair