Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50106076'   

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))	BDBM50106076 ((S)-1-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-piperidin...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc(OC)cc1)\C=C\c1ccccc1 Show InChI InChI=1S/C28H36N2O3/c1-4-21(2)25(18-13-22-10-6-5-7-11-22)29-28(32)26-12-8-9-19-30(26)20-27(31)23-14-16-24(33-3)17-15-23/h5-7,10-11,13-18,21,25-26H,4,8-9,12,19-20H2,1-3H3,(H,29,32)/b18-13+/t21-,25+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin K				Bioorg Med Chem Lett 11: 2951-4 (2001) BindingDB Entry DOI: 10.7270/Q23R0S5W
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