Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50306311'   

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))	BDBM50306311 ((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc2ncccc2c1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C27H26F4N4O/c1-25(2,28)15-22(24(36)35-26(16-32)11-12-26)34-23(27(29,30)31)18-7-5-17(6-8-18)19-9-10-21-20(14-19)4-3-13-33-21/h3-10,13-14,22-23,34H,11-12,15H2,1-2H3,(H,35,36)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	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 20: 887-92 (2010) Article DOI: 10.1016/j.bmcl.2009.12.083 BindingDB Entry DOI: 10.7270/Q27D2V75
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