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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.6
BDBM50443360

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))
BDBM50443360
PNG
(CHEMBL3086047)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@H](C[C@H]1c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 29n/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 fluorescence assay


Bioorg Med Chem Lett 23: 6228-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50443360
PNG
(CHEMBL3086047)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@H](C[C@H]1c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/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 fluorescence assay


Bioorg Med Chem Lett 23: 6228-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4
More data for this
Ligand-Target Pair