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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50382886   
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))
BDBM50382886
PNG
(CHEMBL2024198 | US8569299, 23)
Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1
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US Patent
n/an/a 0.900n/an/an/an/a5.537



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...


US Patent US8569299 (2013)


BindingDB Entry DOI: 10.7270/Q2K9365V
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50382886
PNG
(CHEMBL2024198 | US8569299, 23)
Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 22: 2818-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50382886
PNG
(CHEMBL2024198 | US8569299, 23)
Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 22: 2811-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50382886
PNG
(CHEMBL2024198 | US8569299, 23)
Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 22: 2811-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50382886
PNG
(CHEMBL2024198 | US8569299, 23)
Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 22: 2818-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7
More data for this
Ligand-Target Pair