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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.9
BDBM50361753

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))
BDBM50361753
PNG
(CHEMBL1938490)
Show SMILES FC(F)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClF2N5O2/c24-17-6-4-15(5-7-17)20(21(25)26)28-19(32)10-14-31-12-8-16(9-13-31)23-29-22(30-33-23)18-3-1-2-11-27-18/h1-7,11,16,20-21H,8-10,12-14H2,(H,28,32)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 104n/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)
BDBM50361753
PNG
(CHEMBL1938490)
Show SMILES FC(F)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClF2N5O2/c24-17-6-4-15(5-7-17)20(21(25)26)28-19(32)10-14-31-12-8-16(9-13-31)23-29-22(30-33-23)18-3-1-2-11-27-18/h1-7,11,16,20-21H,8-10,12-14H2,(H,28,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 156n/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