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PubMed code 27890381

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 (L and K)


(Homo sapiens (Human))
BDBM50410608
PNG
(CHEMBL200151)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)OCc1ccccc1
Show InChI InChI=1S/C17H21N3O3/c18-11-12-19-15(21)17(9-5-2-6-10-17)20-16(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-10,12-13H2,(H,19,21)(H,20,22)
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PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate measured after 10 to 80 mins by spectrophotometric method


Bioorg Med Chem Lett 27: 45-50 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.036
BindingDB Entry DOI: 10.7270/Q2S184HH
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50168955
PNG
(CHEMBL3805682)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C22H21N5O3S/c23-12-13-24-21(29)22(10-2-1-3-11-22)26-19(28)16-8-6-15(7-9-16)18-25-20(30-27-18)17-5-4-14-31-17/h4-9,14H,1-3,10-11,13H2,(H,24,29)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate measured after 10 to 80 mins by spectrophotometric method


Bioorg Med Chem Lett 27: 45-50 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.036
BindingDB Entry DOI: 10.7270/Q2S184HH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%