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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.9
BDBM50361755

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))
BDBM50361755
PNG
(CHEMBL1938491)
Show SMILES FC(F)(F)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClF3N5O2/c24-17-6-4-15(5-7-17)20(23(25,26)27)29-19(33)10-14-32-12-8-16(9-13-32)22-30-21(31-34-22)18-3-1-2-11-28-18/h1-7,11,16,20H,8-10,12-14H2,(H,29,33)
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PC sid
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Similars

Article
PubMed
n/an/a 17n/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


(Homo sapiens (Human))
BDBM50361755
PNG
(CHEMBL1938491)
Show SMILES FC(F)(F)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClF3N5O2/c24-17-6-4-15(5-7-17)20(23(25,26)27)29-19(33)10-14-32-12-8-16(9-13-32)22-30-21(31-34-22)18-3-1-2-11-28-18/h1-7,11,16,20H,8-10,12-14H2,(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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