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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 = 'BDBM50364406'   
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))
BDBM50364406
PNG
(CHEMBL1950445)
Show SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C25H24Cl2N4O/c1-14(16-8-10-18(11-9-16)17-6-4-3-5-7-17)23(28)25(32)29-15(2)24-30-21-12-19(26)20(27)13-22(21)31-24/h3-15,23H,28H2,1-2H3,(H,29,32)(H,30,31)/t14-,15-,23-/m0/s1
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antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 22: 1774-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50364406
PNG
(CHEMBL1950445)
Show SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C25H24Cl2N4O/c1-14(16-8-10-18(11-9-16)17-6-4-3-5-7-17)23(28)25(32)29-15(2)24-30-21-12-19(26)20(27)13-22(21)31-24/h3-15,23H,28H2,1-2H3,(H,29,32)(H,30,31)/t14-,15-,23-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 22: 1774-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50364406
PNG
(CHEMBL1950445)
Show SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C25H24Cl2N4O/c1-14(16-8-10-18(11-9-16)17-6-4-3-5-7-17)23(28)25(32)29-15(2)24-30-21-12-19(26)20(27)13-22(21)31-24/h3-15,23H,28H2,1-2H3,(H,29,32)(H,30,31)/t14-,15-,23-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 638n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PrCP-mediated angiotensin3 cleavage in mouse plasma using Mca-Ala-Lys-Dnp as substrate for 8 mins by LC/MS analysis


Bioorg Med Chem Lett 22: 1774-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28
More data for this
Ligand-Target Pair