Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50251439'   

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))	BDBM50251439 (1-[(S)-2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphen...) Show SMILES FC(F)(F)[C@@H](NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1 |r| Show InChI InChI=1S/C27H32F3N5O/c28-27(29,30)24(34-26(12-2-1-3-13-26)25(36)33-15-14-31)22-6-4-20(5-7-22)21-8-10-23(11-9-21)35-18-16-32-17-19-35/h4-11,24,32,34H,1-3,12-13,15-19H2,(H,33,36)/t24-/m0/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5
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