Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50179444'   

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))	BDBM50179444 ((S)-1-(isoxazole-5-carbonyl)-4,4-dimethyl-2-oxopyr...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1ccno1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C26H32N4O7/c1-5-6-12-18(20(31)22(32)28-16(2)17-10-8-7-9-11-17)29-25(35)36-21-24(34)30(15-26(21,3)4)23(33)19-13-14-27-37-19/h7-11,13-14,16,18,21H,5-6,12,15H2,1-4H3,(H,28,32)(H,29,35)/t16-,18+,21-/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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
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