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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysosomal Pro-X carboxypeptidase' and Ligand = 'BDBM50361765'   
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)
BDBM50361765
PNG
(CHEMBL1938501)
Show SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H25ClN2O/c1-16(18-8-10-21(11-9-18)20-6-4-3-5-7-20)23(26)24(28)27-17(2)19-12-14-22(25)15-13-19/h3-17,23H,26H2,1-2H3,(H,27,28)/t16-,17-,23-/m0/s1
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Article
PubMed
n/an/a 11n/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))
BDBM50361765
PNG
(CHEMBL1938501)
Show SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H25ClN2O/c1-16(18-8-10-21(11-9-18)20-6-4-3-5-7-20)23(26)24(28)27-17(2)19-12-14-22(25)15-13-19/h3-17,23H,26H2,1-2H3,(H,27,28)/t16-,17-,23-/m0/s1
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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)
BDBM50361765
PNG
(CHEMBL1938501)
Show SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H25ClN2O/c1-16(18-8-10-21(11-9-18)20-6-4-3-5-7-20)23(26)24(28)27-17(2)19-12-14-22(25)15-13-19/h3-17,23H,26H2,1-2H3,(H,27,28)/t16-,17-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/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