Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50415743'   

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))	BDBM50415743 (CHEMBL1084140) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1CN(CC1(C)C)C(=O)NCc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C30H40N4O5/c1-5-6-17-24(26(35)27(36)32-21(2)23-15-11-8-12-16-23)33-29(38)39-25-19-34(20-30(25,3)4)28(37)31-18-22-13-9-7-10-14-22/h7-16,21,24-25H,5-6,17-20H2,1-4H3,(H,31,37)(H,32,36)(H,33,38)/t21-,24+,25-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
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