Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50214543'   

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))	BDBM50214543 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C#N Show InChI InChI=1S/C26H32F3N3O3S2/c1-17(2)15-23(25(33)31-21(16-30)13-14-36-3)32-24(26(27,28)29)20-7-5-18(6-8-20)19-9-11-22(12-10-19)37(4,34)35/h5-12,17,21,23-24,32H,13-15H2,1-4H3,(H,31,33)/t21-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
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