Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50463235'   

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))	BDBM50463235 (CHEMBL4238536) Show SMILES COc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1 Show InChI InChI=1S/C15H16N6O2/c1-22-12-4-2-3-11(9-12)17-14-18-13(10-16)19-15(20-14)21-5-7-23-8-6-21/h2-4,9H,5-8H2,1H3,(H,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
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