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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.3
BDBM50364403

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))
BDBM50364403
PNG
(CHEMBL1950448)
Show SMILES C[C@H](NC(=O)CCc1ccc(cc1)-c1cccnc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C23H20Cl2N4O/c1-14(23-28-20-11-18(24)19(25)12-21(20)29-23)27-22(30)9-6-15-4-7-16(8-5-15)17-3-2-10-26-13-17/h2-5,7-8,10-14H,6,9H2,1H3,(H,27,30)(H,28,29)/t14-/m0/s1
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Similars

Article
PubMed
n/an/a 48n/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 for 30 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 22: 1774-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28
More data for this
Ligand-Target Pair