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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.8
BDBM50365038

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50365038
PNG
(CHEMBL1950914)
Show SMILES CC(C)(O)C1CCCN(C1)c1cc(NCc2ccc(Cl)cc2)ncn1
Show InChI InChI=1S/C19H25ClN4O/c1-19(2,25)15-4-3-9-24(12-15)18-10-17(22-13-23-18)21-11-14-5-7-16(20)8-6-14/h5-8,10,13,15,25H,3-4,9,11-12H2,1-2H3,(H,21,22,23)
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PC sid
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Similars

Article
PubMed
n/an/a 5.54E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 22: 1727-30 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.098
BindingDB Entry DOI: 10.7270/Q2GT5NNH
More data for this
Ligand-Target Pair