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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 464.3
BDBM50364392

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))
BDBM50364392
PNG
(CHEMBL1950308)
Show SMILES C[C@H](NC(=O)CCN1CCN(CC1)c1ccccc1F)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C22H24Cl2FN5O/c1-14(22-27-18-12-15(23)16(24)13-19(18)28-22)26-21(31)6-7-29-8-10-30(11-9-29)20-5-3-2-4-17(20)25/h2-5,12-14H,6-11H2,1H3,(H,26,31)(H,27,28)/t14-/m0/s1
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Similars

Article
PubMed
n/an/a 38n/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