Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50395233'   

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))	BDBM50395233 (CHEMBL2164668) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2oc3ccccc3c2C1 |r| Show InChI InChI=1S/C23H25N3O3/c24-14-23(10-11-23)25-21(27)16-6-1-2-7-17(16)22(28)26-12-9-20-18(13-26)15-5-3-4-8-19(15)29-20/h3-5,8,16-17H,1-2,6-7,9-13H2,(H,25,27)/t16-,17-/m1/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	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
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