Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50418001'   

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))	BDBM50418001 (CHEMBL1672421 | US11414402, Example 6) Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/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	501	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S after 1 hr				ACS Med Chem Lett 2: 142-147 (2011) Article DOI: 10.1021/ml100212k BindingDB Entry DOI: 10.7270/Q2RX9DBM
					More data for this Ligand-Target Pair