Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50152987'   

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))	BDBM50152987 (1-(3-(4-Chloro-phenyl)-1-{4-[4-(2-methoxy-phenyl)-...) Show SMILES COc1ccccc1N1CCN(CCCCn2nc(c3CN(CCc23)C(C)=O)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H36ClN5O2/c1-22(36)34-16-13-26-25(21-34)29(23-9-11-24(30)12-10-23)31-35(26)15-6-5-14-32-17-19-33(20-18-32)27-7-3-4-8-28(27)37-2/h3-4,7-12H,5-6,13-21H2,1-2H3	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
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