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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 = 'BDBM50364674'   
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))
BDBM50364674
PNG
(CHEMBL1951463)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cnccc32)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C25H21Cl2F3N2O2/c26-18-11-17(12-19(27)13-18)23-21-14-31-8-5-22(21)24(34-23)6-9-32(10-7-24)15-16-1-3-20(4-2-16)33-25(28,29)30/h1-5,8,11-14,23H,6-7,9-10,15H2
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Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 22: 1550-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50364674
PNG
(CHEMBL1951463)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cnccc32)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C25H21Cl2F3N2O2/c26-18-11-17(12-19(27)13-18)23-21-14-31-8-5-22(21)24(34-23)6-9-32(10-7-24)15-16-1-3-20(4-2-16)33-25(28,29)30/h1-5,8,11-14,23H,6-7,9-10,15H2
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Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 22: 1550-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50364674
PNG
(CHEMBL1951463)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cnccc32)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C25H21Cl2F3N2O2/c26-18-11-17(12-19(27)13-18)23-21-14-31-8-5-22(21)24(34-23)6-9-32(10-7-24)15-16-1-3-20(4-2-16)33-25(28,29)30/h1-5,8,11-14,23H,6-7,9-10,15H2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 427n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage by whole serum shift assay


Bioorg Med Chem Lett 22: 1550-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ
More data for this
Ligand-Target Pair