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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin F' and Ligand = 'BDBM50331780'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin F


(Homo sapiens (Human))
BDBM50331780
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-3,3-dimethyl-2-(...)
Show SMILES CC(C)(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C30H32F3N3O3S/c1-29(2,3)27(28(37)35-24(19-34)18-20-8-6-5-7-9-20)36-26(30(31,32)33)23-12-10-21(11-13-23)22-14-16-25(17-15-22)40(4,38)39/h5-17,24,26-27,36H,18H2,1-4H3,(H,35,37)/t24-,26-,27+/m0/s1
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.015
BindingDB Entry DOI: 10.7270/Q29S1R8D
More data for this
Ligand-Target Pair