Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50221223'   

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))	BDBM50221223 (1-(4-(5-chloro-2-methyl-1H-indol-3-yl)piperidin-1-...) Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(cc2)C(F)(F)F)CC1 |w:16.18| Show InChI InChI=1S/C31H35ClF3N5O3S/c1-19-29(25-15-23(32)7-8-27(25)36-19)20-9-12-38(13-10-20)16-24(41)17-40-28-11-14-39(44(2,42)43)18-26(28)30(37-40)21-3-5-22(6-4-21)31(33,34)35/h3-8,15,20,24,36,41H,9-14,16-18H2,1-2H3	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	37	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 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
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