Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM33999'   

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))	BDBM33999 (arylalkyne pyrazole-based compound, 33) Show SMILES COC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 Show InChI InChI=1S/C30H30Cl2N4O4/c1-39-30(38)29(37)35-14-11-27-25(20-35)28(33-36(27)13-2-12-34-15-17-40-18-16-34)23-7-10-26(32)22(19-23)6-3-21-4-8-24(31)9-5-21/h4-5,7-10,19H,2,11-18,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	5.0	23
Johnson & Johnson Pharmaceutical					Assay Description Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...				Bioorg Med Chem Lett 19: 6131-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.014 BindingDB Entry DOI: 10.7270/Q2251GHV
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