Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50314151'   

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))	BDBM50314151 (4-(3-(3-(3-(benzylthio)-4-chlorophenyl)-5-(methyls...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(SCc2ccccc2)c1 Show InChI InChI=1S/C27H33ClN4O3S2/c1-37(33,34)31-13-10-25-23(19-31)27(29-32(25)12-5-11-30-14-16-35-17-15-30)22-8-9-24(28)26(18-22)36-20-21-6-3-2-4-7-21/h2-4,6-9,18H,5,10-17,19-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 20: 2370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.108 BindingDB Entry DOI: 10.7270/Q2G160Z4
					More data for this Ligand-Target Pair