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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 625.5
BDBM50365010

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

Found 6 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


(Mus musculus)
BDBM50365010
PNG
(CHEMBL1950909)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
Show InChI InChI=1S/C34H34Cl2N8/c35-27-15-29-30(16-28(27)36)41-34(40-29)31-9-4-13-44(31)33-17-32(38-21-39-33)43-12-3-7-24(20-43)42-14-10-26-23(19-42)5-1-8-25(26)22-6-2-11-37-18-22/h1-2,5-6,8,11,15-18,21,24,31H,3-4,7,9-10,12-14,19-20H2,(H,40,41)/t24?,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 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)
BDBM50365010
PNG
(CHEMBL1950909)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
Show InChI InChI=1S/C34H34Cl2N8/c35-27-15-29-30(16-28(27)36)41-34(40-29)31-9-4-13-44(31)33-17-32(38-21-39-33)43-12-3-7-24(20-43)42-14-10-26-23(19-42)5-1-8-25(26)22-6-2-11-37-18-22/h1-2,5-6,8,11,15-18,21,24,31H,3-4,7,9-10,12-14,19-20H2,(H,40,41)/t24?,31-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 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


(Homo sapiens (Human))
BDBM50365010
PNG
(CHEMBL1950909)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
Show InChI InChI=1S/C34H34Cl2N8/c35-27-15-29-30(16-28(27)36)41-34(40-29)31-9-4-13-44(31)33-17-32(38-21-39-33)43-12-3-7-24(20-43)42-14-10-26-23(19-42)5-1-8-25(26)22-6-2-11-37-18-22/h1-2,5-6,8,11,15-18,21,24,31H,3-4,7,9-10,12-14,19-20H2,(H,40,41)/t24?,31-/m0/s1
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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 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


(Homo sapiens (Human))
BDBM50365010
PNG
(CHEMBL1950909)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
Show InChI InChI=1S/C34H34Cl2N8/c35-27-15-29-30(16-28(27)36)41-34(40-29)31-9-4-13-44(31)33-17-32(38-21-39-33)43-12-3-7-24(20-43)42-14-10-26-23(19-42)5-1-8-25(26)22-6-2-11-37-18-22/h1-2,5-6,8,11,15-18,21,24,31H,3-4,7,9-10,12-14,19-20H2,(H,40,41)/t24?,31-/m0/s1
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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 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)
BDBM50365010
PNG
(CHEMBL1950909)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
Show InChI InChI=1S/C34H34Cl2N8/c35-27-15-29-30(16-28(27)36)41-34(40-29)31-9-4-13-44(31)33-17-32(38-21-39-33)43-12-3-7-24(20-43)42-14-10-26-23(19-42)5-1-8-25(26)22-6-2-11-37-18-22/h1-2,5-6,8,11,15-18,21,24,31H,3-4,7,9-10,12-14,19-20H2,(H,40,41)/t24?,31-/m0/s1
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n/an/a 345n/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
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50365010
PNG
(CHEMBL1950909)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCCC(C1)N1CCc2c(C1)cccc2-c1cccnc1 |r|
Show InChI InChI=1S/C34H34Cl2N8/c35-27-15-29-30(16-28(27)36)41-34(40-29)31-9-4-13-44(31)33-17-32(38-21-39-33)43-12-3-7-24(20-43)42-14-10-26-23(19-42)5-1-8-25(26)22-6-2-11-37-18-22/h1-2,5-6,8,11,15-18,21,24,31H,3-4,7,9-10,12-14,19-20H2,(H,40,41)/t24?,31-/m0/s1
Reactome pathway
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 355n/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