Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50138864'   

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))	BDBM50138864 (CHEMBL351111 | [(S)-1-(Isoquinolin-3-ylaminooxalyl...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc2ccccc2cn1 Show InChI InChI=1S/C24H33N3O4/c1-6-7-12-19(26-24(30)31-22(15(2)3)16(4)5)21(28)23(29)27-20-13-17-10-8-9-11-18(17)14-25-20/h8-11,13-16,19,22H,6-7,12H2,1-5H3,(H,26,30)(H,25,27,29)/t19-/m0/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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
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