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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 525.4
BDBM50365033

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))
BDBM50365033
PNG
(CHEMBL1950904)
Show SMILES COc1ccc(cc1)C1CN(CCO1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C26H26Cl2N6O2/c1-35-17-6-4-16(5-7-17)23-14-33(9-10-36-23)24-13-25(30-15-29-24)34-8-2-3-22(34)26-31-20-11-18(27)19(28)12-21(20)32-26/h4-7,11-13,15,22-23H,2-3,8-10,14H2,1H3,(H,31,32)/t22-,23?/m0/s1
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antibodypedia
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Article
PubMed
n/an/a 21n/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 after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 22: 1727-30 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.098
BindingDB Entry DOI: 10.7270/Q2GT5NNH
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50365033
PNG
(CHEMBL1950904)
Show SMILES COc1ccc(cc1)C1CN(CCO1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C26H26Cl2N6O2/c1-35-17-6-4-16(5-7-17)23-14-33(9-10-36-23)24-13-25(30-15-29-24)34-8-2-3-22(34)26-31-20-11-18(27)19(28)12-21(20)32-26/h4-7,11-13,15,22-23H,2-3,8-10,14H2,1H3,(H,31,32)/t22-,23?/m0/s1
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Article
PubMed
n/an/a 46n/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 after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 22: 1727-30 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.098
BindingDB Entry DOI: 10.7270/Q2GT5NNH
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50365033
PNG
(CHEMBL1950904)
Show SMILES COc1ccc(cc1)C1CN(CCO1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C26H26Cl2N6O2/c1-35-17-6-4-16(5-7-17)23-14-33(9-10-36-23)24-13-25(30-15-29-24)34-8-2-3-22(34)26-31-20-11-18(27)19(28)12-21(20)32-26/h4-7,11-13,15,22-23H,2-3,8-10,14H2,1H3,(H,31,32)/t22-,23?/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PrCP assessed as angiotensin 3 cleavage after 8 mins by LC/MS analysis


Bioorg Med Chem Lett 22: 1727-30 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.098
BindingDB Entry DOI: 10.7270/Q2GT5NNH
More data for this
Ligand-Target Pair