Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50335290'   

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))	BDBM50335290 (CHEMBL1651362 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) Show SMILES CC(C)C[C@H](N(C)C(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C23H26N6O3S/c1-15(2)13-18(23(31)29(5)27(3)14-24)28(4)22(30)17-10-8-16(9-11-17)20-25-21(32-26-20)19-7-6-12-33-19/h6-12,15,18H,13H2,1-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assay				J Med Chem 54: 396-400 (2011) Article DOI: 10.1021/jm101272p BindingDB Entry DOI: 10.7270/Q2PV6MC3
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