Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50461247'   

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))	BDBM50461247 (CHEMBL4228861) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
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