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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 536.4
BDBM50361757

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)
BDBM50361757
PNG
(CHEMBL1938493)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27Cl2N5O2/c29-22-8-4-19(5-9-22)26(20-6-10-23(30)11-7-20)32-25(36)14-18-35-16-12-21(13-17-35)28-33-27(34-37-28)24-3-1-2-15-31-24/h1-11,15,21,26H,12-14,16-18H2,(H,32,36)
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n/an/a 10n/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))
BDBM50361757
PNG
(CHEMBL1938493)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27Cl2N5O2/c29-22-8-4-19(5-9-22)26(20-6-10-23(30)11-7-20)32-25(36)14-18-35-16-12-21(13-17-35)28-33-27(34-37-28)24-3-1-2-15-31-24/h1-11,15,21,26H,12-14,16-18H2,(H,32,36)
PDB
MMDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 33n/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)
BDBM50361757
PNG
(CHEMBL1938493)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27Cl2N5O2/c29-22-8-4-19(5-9-22)26(20-6-10-23(30)11-7-20)32-25(36)14-18-35-16-12-21(13-17-35)28-33-27(34-37-28)24-3-1-2-15-31-24/h1-11,15,21,26H,12-14,16-18H2,(H,32,36)
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 305n/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