Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50397122'   

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))	BDBM50397122 (CHEMBL2171992) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H30N4O3/c1-30-18-8-6-17(7-9-18)26-12-14-27(15-13-26)22(29)20-5-3-2-4-19(20)21(28)25-23(16-24)10-11-23/h6-9,19-20H,2-5,10-15H2,1H3,(H,25,28)/t19-,20-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
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