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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' and Ligand = 'BDBM50310698'   
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
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50310698
PNG
((2S,4S)-N-((S)-1-cyano-2-phenylethyl)-4-(ethylthio...)
Show SMILES CCS[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Show InChI InChI=1S/C16H21N3OS/c1-2-21-14-9-15(18-11-14)16(20)19-13(10-17)8-12-6-4-3-5-7-12/h3-7,13-15,18H,2,8-9,11H2,1H3,(H,19,20)/t13-,14-,15-/m0/s1
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Similars
Article
PubMed
n/an/a 271n/an/an/an/an/an/a



Merck Frosst Canada& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C

Bioorg Med Chem Lett 19: 5392-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.114
BindingDB Entry DOI: 10.7270/Q298874W
More data for this
Ligand-Target Pair