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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.3
BDBM50365007

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))
BDBM50365007
PNG
(CHEMBL1950906)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(C1)c1ccccn1 |r|
Show InChI InChI=1S/C24H23Cl2N7/c25-16-10-19-20(11-17(16)26)31-24(30-19)21-5-3-8-33(21)23-12-22(28-14-29-23)32-9-6-15(13-32)18-4-1-2-7-27-18/h1-2,4,7,10-12,14-15,21H,3,5-6,8-9,13H2,(H,30,31)/t15?,21-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/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 after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 22: 1727-30 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.098
BindingDB Entry DOI: 10.7270/Q2GT5NNH
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50365007
PNG
(CHEMBL1950906)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(C1)c1ccccn1 |r|
Show InChI InChI=1S/C24H23Cl2N7/c25-16-10-19-20(11-17(16)26)31-24(30-19)21-5-3-8-33(21)23-12-22(28-14-29-23)32-9-6-15(13-32)18-4-1-2-7-27-18/h1-2,4,7,10-12,14-15,21H,3,5-6,8-9,13H2,(H,30,31)/t15?,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PrCP assessed as angiotensin 3 cleavage after 8 mins by LC/MS analysis


Bioorg Med Chem Lett 22: 1727-30 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.098
BindingDB Entry DOI: 10.7270/Q2GT5NNH
More data for this
Ligand-Target Pair