Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50255353'   

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))	BDBM50255353 (3-Acetyl-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-...) Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(c1)C(C)=O |r| Show InChI InChI=1S/C25H35N3O7S/c1-5-21-22(20(30)14-35-21)27-24(32)19(13-25(3)10-6-7-11-25)26-23(31)16-8-9-18(28-36(4,33)34)17(12-16)15(2)29/h8-9,12,19,21-22,28H,5-7,10-11,13-14H2,1-4H3,(H,26,31)(H,27,32)/t19-,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay				Bioorg Med Chem 17: 1307-24 (2009) Article DOI: 10.1016/j.bmc.2008.12.020 BindingDB Entry DOI: 10.7270/Q2GX4BD9
					More data for this Ligand-Target Pair