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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 559.5
BDBM50443358

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))
BDBM50443358
PNG
(CHEMBL3086029)
Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C32H35BrN2O2/c33-27-13-11-24(12-14-27)30-21-28(34-17-19-37-20-18-34)15-16-29(30)31(36)35-22-32(23-35,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28-30H,15-23H2/t28-,29-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/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 fluorescence assay


Bioorg Med Chem Lett 23: 6228-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50443358
PNG
(CHEMBL3086029)
Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C32H35BrN2O2/c33-27-13-11-24(12-14-27)30-21-28(34-17-19-37-20-18-34)15-16-29(30)31(36)35-22-32(23-35,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28-30H,15-23H2/t28-,29-,30+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem Lett 23: 6228-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4
More data for this
Ligand-Target Pair