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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 495.4
BDBM50365008

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))
BDBM50365008
PNG
(CHEMBL1950907)
Show SMILES OC1(CCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24Cl2N6O/c26-17-11-19-20(12-18(17)27)31-24(30-19)21-7-4-9-33(21)23-13-22(28-15-29-23)32-10-8-25(34,14-32)16-5-2-1-3-6-16/h1-3,5-6,11-13,15,21,34H,4,7-10,14H2,(H,30,31)/t21-,25?/m0/s1
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 58n/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)
BDBM50365008
PNG
(CHEMBL1950907)
Show SMILES OC1(CCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24Cl2N6O/c26-17-11-19-20(12-18(17)27)31-24(30-19)21-7-4-9-33(21)23-13-22(28-15-29-23)32-10-8-25(34,14-32)16-5-2-1-3-6-16/h1-3,5-6,11-13,15,21,34H,4,7-10,14H2,(H,30,31)/t21-,25?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/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