Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50138863'   

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))	BDBM50138863 (CHEMBL156677 | [(S)-1-(Pyridin-3-ylaminooxalyl)-pe...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cccnc1 Show InChI InChI=1S/C20H31N3O4/c1-6-7-10-16(23-20(26)27-18(13(2)3)14(4)5)17(24)19(25)22-15-9-8-11-21-12-15/h8-9,11-14,16,18H,6-7,10H2,1-5H3,(H,22,25)(H,23,26)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	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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