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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 436.9
BDBM50361790

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))
BDBM50361790
PNG
(CHEMBL1938526)
Show SMILES Cn1cc(cn1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O/c1-29-18-22(17-27-29)25(21-7-9-23(26)10-8-21)28-24(31)13-16-30-14-11-20(12-15-30)19-5-3-2-4-6-19/h2-10,17-18,20,25H,11-16H2,1H3,(H,28,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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)
BDBM50361790
PNG
(CHEMBL1938526)
Show SMILES Cn1cc(cn1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O/c1-29-18-22(17-27-29)25(21-7-9-23(26)10-8-21)28-24(31)13-16-30-14-11-20(12-15-30)19-5-3-2-4-6-19/h2-10,17-18,20,25H,11-16H2,1H3,(H,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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