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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.9
BDBM50361769

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))
BDBM50361769
PNG
(CHEMBL1938505)
Show SMILES C[C@H]([C@H](N)C(=O)NC(C(F)F)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H23ClF2N2O/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)21(28)24(30)29-22(23(26)27)19-11-13-20(25)14-12-19/h2-15,21-23H,28H2,1H3,(H,29,30)/t15-,21-,22?/m0/s1
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Similars

Article
PubMed
n/an/a 21n/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