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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.4
BDBM50365009

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))
BDBM50365009
PNG
(CHEMBL1950908)
Show SMILES CC(C)(O)C1CCCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C23H28Cl2N6O/c1-23(2,32)14-5-3-7-30(12-14)20-11-21(27-13-26-20)31-8-4-6-19(31)22-28-17-9-15(24)16(25)10-18(17)29-22/h9-11,13-14,19,32H,3-8,12H2,1-2H3,(H,28,29)/t14?,19-/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/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)
BDBM50365009
PNG
(CHEMBL1950908)
Show SMILES CC(C)(O)C1CCCN(C1)c1cc(ncn1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C23H28Cl2N6O/c1-23(2,32)14-5-3-7-30(12-14)20-11-21(27-13-26-20)31-8-4-6-19(31)22-28-17-9-15(24)16(25)10-18(17)29-22/h9-11,13-14,19,32H,3-8,12H2,1-2H3,(H,28,29)/t14?,19-/m0/s1
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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