Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50414629'   

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))	BDBM50414629 (CHEMBL563471) Show SMILES Cn1cc(cn1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)21-13-20(31(5)29-21)23(33)28-19(22(32)26-10-9-25)12-16-7-6-8-17(11-16)18-14-27-30(4)15-18/h6-8,11,13-15,19H,10,12H2,1-5H3,(H,26,32)(H,28,33)	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	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
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