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SMILES: CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(nc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=KEFLDFVVZLYYKR-ICSRJNTNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306312   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM50306312
PNG
((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(nc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H26F4N4O3S/c1-22(2,25)12-18(21(33)32-23(14-29)10-11-23)31-20(24(26,27)28)16-6-4-15(5-7-16)17-8-9-19(30-13-17)36(3,34)35/h4-9,13,18,20,31H,10-12H2,1-3H3,(H,32,33)/t18-,20-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/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
More data for this
Ligand-Target Pair