Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50137387'   

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))	BDBM50137387 (((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
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