Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50177771'   

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))	BDBM50177771 (4'-(4-tert-Butylamino-piperidin-1-yl)-biphenyl-4-c...) Show SMILES CC(C)(C)NC1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C31H41N5O2/c1-30(2,3)34-26-15-21-36(22-16-26)27-13-11-24(12-14-27)23-7-9-25(10-8-23)28(37)35-31(17-5-4-6-18-31)29(38)33-20-19-32/h7-14,26,34H,4-6,15-18,20-22H2,1-3H3,(H,33,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate				J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB
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