Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50165426'   

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))	BDBM50165426 (CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12| Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/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	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
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