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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.0
BDBM50361789

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))
BDBM50361789
PNG
(CHEMBL1938525)
Show SMILES Cc1cc(cc(C)n1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32ClN3O/c1-20-18-25(19-21(2)30-20)28(24-8-10-26(29)11-9-24)31-27(33)14-17-32-15-12-23(13-16-32)22-6-4-3-5-7-22/h3-11,18-19,23,28H,12-17H2,1-2H3,(H,31,33)
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Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair