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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.4
BDBM50361784

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

Found 3 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)
BDBM50361784
PNG
(CHEMBL1938520)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N2O/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)30-26(32)16-19-31-17-14-21(15-18-31)20-4-2-1-3-5-20/h1-13,21,27H,14-19H2,(H,30,32)
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Article
PubMed
n/an/a 4n/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 continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50361784
PNG
(CHEMBL1938520)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N2O/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)30-26(32)16-19-31-17-14-21(15-18-31)20-4-2-1-3-5-20/h1-13,21,27H,14-19H2,(H,30,32)
PDB
MMDB

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B.MOAD
antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 5.20n/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 continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50361784
PNG
(CHEMBL1938520)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N2O/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)30-26(32)16-19-31-17-14-21(15-18-31)20-4-2-1-3-5-20/h1-13,21,27H,14-19H2,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PrCP-mediated conversion of Ang3 to Ang(2-7) in mouse plasma


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair