Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50066653'   

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))	BDBM50066653 (CHEMBL119219 | {(S)-3-Methyl-1-[4-oxo-1-(4-phenoxy...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H33N3O6/c1-21(2)17-26(33-31(38)39-20-22-9-5-3-6-10-22)29(36)32-27-18-34(19-28(27)35)30(37)23-13-15-25(16-14-23)40-24-11-7-4-8-12-24/h3-16,21,26-27H,17-20H2,1-2H3,(H,32,36)(H,33,38)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin K				J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB
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