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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 533.4
BDBM50443359

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))
BDBM50443359
PNG
(CHEMBL3086048)
Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H33BrN2O2/c31-25-13-11-22(12-14-25)28-21-26(33-17-19-35-20-18-33)15-16-27(28)30(34)32-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-29H,15-21H2,(H,32,34)/t26-,27-,28+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/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)
BDBM50443359
PNG
(CHEMBL3086048)
Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H33BrN2O2/c31-25-13-11-22(12-14-25)28-21-26(33-17-19-35-20-18-33)15-16-27(28)30(34)32-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-29H,15-21H2,(H,32,34)/t26-,27-,28+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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