Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50154179'   

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 K (Homo sapiens (Human))	BDBM50154179 (CHEMBL362766 | [1-(1-Phenyl-ethylaminooxalyl)-pent...) Show SMILES CCCC[C@H](NC(=O)OCC1(COc2nc(cs2)-c2ccc(C)cc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C32H39N3O5S/c1-4-5-12-26(28(36)29(37)33-23(3)24-10-7-6-8-11-24)34-30(38)39-20-32(17-9-18-32)21-40-31-35-27(19-41-31)25-15-13-22(2)14-16-25/h6-8,10-11,13-16,19,23,26H,4-5,9,12,17-18,20-21H2,1-3H3,(H,33,37)(H,34,38)/t23-,26+/m1/s1	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	150	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory potency against human Cathepsin K				J Med Chem 47: 5057-68 (2004) Article DOI: 10.1021/jm040107n BindingDB Entry DOI: 10.7270/Q23T9GP0
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