Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50154180'   

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))	BDBM50154180 (CHEMBL187918 | [1-(1-Phenyl-ethylaminooxalyl)-pent...) Show SMILES CCCC[C@H](NC(=O)OCC1(COc2nc(cs2)-c2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C31H37N3O5S/c1-3-4-16-25(27(35)28(36)32-22(2)23-12-7-5-8-13-23)33-29(37)38-20-31(17-11-18-31)21-39-30-34-26(19-40-30)24-14-9-6-10-15-24/h5-10,12-15,19,22,25H,3-4,11,16-18,20-21H2,1-2H3,(H,32,36)(H,33,37)/t22-,25+/m1/s1	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	5.5	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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