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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.4
BDBM50365015

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))
BDBM50365015
PNG
(CHEMBL1950783)
Show SMILES Nc1cc(cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)-c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H23Cl2N5/c29-21-14-24-25(15-22(21)30)34-27(33-24)26-10-5-11-35(26)28-23(31)13-20(16-32-28)19-9-4-8-18(12-19)17-6-2-1-3-7-17/h1-4,6-9,12-16,26H,5,10-11,31H2,(H,33,34)/t26-/m0/s1
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Similars

Article
PubMed
n/an/a 1.52E+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