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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 517.0
BDBM50361763

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))
BDBM50361763
PNG
(CHEMBL1938499)
Show SMILES CC(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)(c1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN6O2/c1-28(22-9-15-30-16-10-22,21-5-7-23(29)8-6-21)33-25(36)13-19-35-17-11-20(12-18-35)27-32-26(34-37-27)24-4-2-3-14-31-24/h2-10,14-16,20H,11-13,17-19H2,1H3,(H,33,36)
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Similars

Article
PubMed
n/an/a 11n/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