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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.9
BDBM50361778

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


(Homo sapiens (Human))
BDBM50361778
PNG
(CHEMBL1938514)
Show SMILES C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H27ClN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
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Article
PubMed
n/an/a 10n/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)
BDBM50361778
PNG
(CHEMBL1938514)
Show SMILES C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H27ClN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 54n/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


(Mus musculus)
BDBM50361778
PNG
(CHEMBL1938514)
Show SMILES C[C@H](NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H27ClN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/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