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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4
BDBM50361749

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))
BDBM50361749
PNG
(CHEMBL1938484)
Show SMILES C[C@H](NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27N5O2/c1-17(18-7-3-2-4-8-18)25-21(29)12-16-28-14-10-19(11-15-28)23-26-22(27-30-23)20-9-5-6-13-24-20/h2-9,13,17,19H,10-12,14-16H2,1H3,(H,25,29)/t17-/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 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