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PubMed code 24636945

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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


(Mus musculus)
BDBM50001308
PNG
(CHEMBL3237393)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4.C2HF3O2/c1-32-27(21-25(31-32)23-10-12-24(29)13-11-23)28(26-9-5-6-17-30-26)15-19-33(20-16-28)18-14-22-7-3-2-4-8-22;3-2(4,5)1(6)7/h2-13,17,21H,14-16,18-20H2,1H3;(H,6,7)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001318
PNG
(CHEMBL3237377)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27ClFN3.C2HF3O2/c29-23-10-6-22(7-11-23)27-18-28(32-31-27)25-15-17-33(16-14-20-4-2-1-3-5-20)19-26(25)21-8-12-24(30)13-9-21;3-2(4,5)1(6)7/h1-13,18,25-26H,14-17,19H2,(H,31,32);(H,6,7)/t25-,26+;/m1./s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001308
PNG
(CHEMBL3237393)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4.C2HF3O2/c1-32-27(21-25(31-32)23-10-12-24(29)13-11-23)28(26-9-5-6-17-30-26)15-19-33(20-16-28)18-14-22-7-3-2-4-8-22;3-2(4,5)1(6)7/h2-13,17,21H,14-16,18-20H2,1H3;(H,6,7)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001318
PNG
(CHEMBL3237377)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27ClFN3.C2HF3O2/c29-23-10-6-22(7-11-23)27-18-28(32-31-27)25-15-17-33(16-14-20-4-2-1-3-5-20)19-26(25)21-8-12-24(30)13-9-21;3-2(4,5)1(6)7/h1-13,18,25-26H,14-17,19H2,(H,31,32);(H,6,7)/t25-,26+;/m1./s1
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001304
PNG
(CHEMBL3237391)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3.C2HF3O2/c1-32-28(22-27(31-32)24-12-14-26(30)15-13-24)29(25-10-6-3-7-11-25)17-20-33(21-18-29)19-16-23-8-4-2-5-9-23;3-2(4,5)1(6)7/h2-15,22H,16-21H2,1H3;(H,6,7)
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001314
PNG
(CHEMBL3237373)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H34ClFN2O.C2HF3O2/c36-29-15-11-25(12-16-29)22-38-31-19-20-32(33(21-31)26-13-17-30(37)18-14-26)34(40)39-23-35(24-39,27-7-3-1-4-8-27)28-9-5-2-6-10-28;3-2(4,5)1(6)7/h1-18,31-33,38H,19-24H2;(H,6,7)/t31-,32-,33+;/m1./s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001322
PNG
(CHEMBL3237381)
Show SMILES OC(=O)C(F)(F)F.OC(CN1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H27ClFN3O.C2HF3O2/c29-22-10-6-20(7-11-22)26-16-27(32-31-26)24-14-15-33(18-28(34)21-4-2-1-3-5-21)17-25(24)19-8-12-23(30)13-9-19;3-2(4,5)1(6)7/h1-13,16,24-25,28,34H,14-15,17-18H2,(H,31,32);(H,6,7)/t24-,25+,28?;/m1./s1
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001304
PNG
(CHEMBL3237391)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1C1(CCN(CCc2ccccc2)CC1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3.C2HF3O2/c1-32-28(22-27(31-32)24-12-14-26(30)15-13-24)29(25-10-6-3-7-11-25)17-20-33(21-18-29)19-16-23-8-4-2-5-9-23;3-2(4,5)1(6)7/h2-15,22H,16-21H2,1H3;(H,6,7)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001314
PNG
(CHEMBL3237373)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H34ClFN2O.C2HF3O2/c36-29-15-11-25(12-16-29)22-38-31-19-20-32(33(21-31)26-13-17-30(37)18-14-26)34(40)39-23-35(24-39,27-7-3-1-4-8-27)28-9-5-2-6-10-28;3-2(4,5)1(6)7/h1-18,31-33,38H,19-24H2;(H,6,7)/t31-,32-,33+;/m1./s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001322
PNG
(CHEMBL3237381)
Show SMILES OC(=O)C(F)(F)F.OC(CN1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H27ClFN3O.C2HF3O2/c29-22-10-6-20(7-11-22)26-16-27(32-31-26)24-14-15-33(18-28(34)21-4-2-1-3-5-21)17-25(24)19-8-12-23(30)13-9-19;3-2(4,5)1(6)7/h1-13,16,24-25,28,34H,14-15,17-18H2,(H,31,32);(H,6,7)/t24-,25+,28?;/m1./s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001316
PNG
(CHEMBL3237376)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H26Cl2FN3.C2HF3O2/c29-22-7-1-19(2-8-22)13-15-34-16-14-25(26(18-34)20-5-11-24(31)12-6-20)28-17-27(32-33-28)21-3-9-23(30)10-4-21;3-2(4,5)1(6)7/h1-12,17,25-26H,13-16,18H2,(H,32,33);(H,6,7)/t25-,26+;/m1./s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001299
PNG
(CHEMBL3237390)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)-c1cc([nH]n1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H28FN3.C2HF3O2/c29-25-13-11-23(12-14-25)26-21-27(31-30-26)28(24-9-5-2-6-10-24)16-19-32(20-17-28)18-15-22-7-3-1-4-8-22;3-2(4,5)1(6)7/h1-14,21H,15-20H2,(H,30,31);(H,6,7)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001321
PNG
(CHEMBL3237380)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27ClFN3.C2HF3O2/c29-23-10-6-22(7-11-23)27-18-28(32-31-27)25-15-17-33(16-14-20-4-2-1-3-5-20)19-26(25)21-8-12-24(30)13-9-21;3-2(4,5)1(6)7/h1-13,18,25-26H,14-17,19H2,(H,31,32);(H,6,7)/t25-,26-;/m1./s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001299
PNG
(CHEMBL3237390)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)-c1cc([nH]n1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H28FN3.C2HF3O2/c29-25-13-11-23(12-14-25)26-21-27(31-30-26)28(24-9-5-2-6-10-24)16-19-32(20-17-28)18-15-22-7-3-1-4-8-22;3-2(4,5)1(6)7/h1-14,21H,15-20H2,(H,30,31);(H,6,7)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001326
PNG
(CHEMBL3237382)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CC(=O)c2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H25ClFN3O.C2HF3O2/c29-22-10-6-20(7-11-22)26-16-27(32-31-26)24-14-15-33(18-28(34)21-4-2-1-3-5-21)17-25(24)19-8-12-23(30)13-9-19;3-2(4,5)1(6)7/h1-13,16,24-25H,14-15,17-18H2,(H,31,32);(H,6,7)/t24-,25+;/m1./s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001321
PNG
(CHEMBL3237380)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27ClFN3.C2HF3O2/c29-23-10-6-22(7-11-23)27-18-28(32-31-27)25-15-17-33(16-14-20-4-2-1-3-5-20)19-26(25)21-8-12-24(30)13-9-21;3-2(4,5)1(6)7/h1-13,18,25-26H,14-17,19H2,(H,31,32);(H,6,7)/t25-,26-;/m1./s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001329
PNG
(CHEMBL3237384)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCC(F)(F)F)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClF4N3.C2HF3O2/c24-17-5-1-16(2-6-17)21-13-22(30-29-21)19-9-11-31(12-10-23(26,27)28)14-20(19)15-3-7-18(25)8-4-15;3-2(4,5)1(6)7/h1-8,13,19-20H,9-12,14H2,(H,29,30);(H,6,7)/t19-,20+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001329
PNG
(CHEMBL3237384)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCC(F)(F)F)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClF4N3.C2HF3O2/c24-17-5-1-16(2-6-17)21-13-22(30-29-21)19-9-11-31(12-10-23(26,27)28)14-20(19)15-3-7-18(25)8-4-15;3-2(4,5)1(6)7/h1-8,13,19-20H,9-12,14H2,(H,29,30);(H,6,7)/t19-,20+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001445
PNG
(CHEMBL3237386)
Show SMILES OC(=O)C(F)(F)F.CC(C)(C)CN1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H29ClFN3.C2HF3O2/c1-25(2,3)16-30-13-12-21(22(15-30)17-6-10-20(27)11-7-17)24-14-23(28-29-24)18-4-8-19(26)9-5-18;3-2(4,5)1(6)7/h4-11,14,21-22H,12-13,15-16H2,1-3H3,(H,28,29);(H,6,7)/t21-,22+;/m1./s1
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n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001326
PNG
(CHEMBL3237382)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CC(=O)c2ccccc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H25ClFN3O.C2HF3O2/c29-22-10-6-20(7-11-22)26-16-27(32-31-26)24-14-15-33(18-28(34)21-4-2-1-3-5-21)17-25(24)19-8-12-23(30)13-9-19;3-2(4,5)1(6)7/h1-13,16,24-25H,14-15,17-18H2,(H,31,32);(H,6,7)/t24-,25+;/m1./s1
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n/an/a 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001316
PNG
(CHEMBL3237376)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H26Cl2FN3.C2HF3O2/c29-22-7-1-19(2-8-22)13-15-34-16-14-25(26(18-34)20-5-11-24(31)12-6-20)28-17-27(32-33-28)21-3-9-23(30)10-4-21;3-2(4,5)1(6)7/h1-12,17,25-26H,13-16,18H2,(H,32,33);(H,6,7)/t25-,26+;/m1./s1
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001525
PNG
(CHEMBL3237378)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccccc2)CC[C@@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27ClFN3.C2HF3O2/c29-23-10-6-22(7-11-23)27-18-28(32-31-27)25-15-17-33(16-14-20-4-2-1-3-5-20)19-26(25)21-8-12-24(30)13-9-21;3-2(4,5)1(6)7/h1-13,18,25-26H,14-17,19H2,(H,31,32);(H,6,7)/t25-,26-;/m0./s1
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001298
PNG
(CHEMBL3237389)
Show SMILES OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H28ClN3.C2HF3O2/c29-25-13-11-23(12-14-25)26-21-27(31-30-26)28(24-9-5-2-6-10-24)16-19-32(20-17-28)18-15-22-7-3-1-4-8-22;3-2(4,5)1(6)7/h1-14,21H,15-20H2,(H,30,31);(H,6,7)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001526
PNG
(CHEMBL3237379)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccccc2)CC[C@@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27ClFN3.C2HF3O2/c29-23-10-6-22(7-11-23)27-18-28(32-31-27)25-15-17-33(16-14-20-4-2-1-3-5-20)19-26(25)21-8-12-24(30)13-9-21;3-2(4,5)1(6)7/h1-13,18,25-26H,14-17,19H2,(H,31,32);(H,6,7)/t25-,26+;/m0./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001527
PNG
(CHEMBL3237383)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H24Cl2FN3.C2HF3O2/c28-21-7-1-18(2-8-21)16-33-14-13-24(25(17-33)19-5-11-23(30)12-6-19)27-15-26(31-32-27)20-3-9-22(29)10-4-20;3-2(4,5)1(6)7/h1-12,15,24-25H,13-14,16-17H2,(H,31,32);(H,6,7)/t24-,25+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001529
PNG
(CHEMBL3237387)
Show SMILES OC(=O)C(F)(F)F.CC(C)N1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H25ClFN3.C2HF3O2/c1-15(2)28-12-11-20(21(14-28)16-5-9-19(25)10-6-16)23-13-22(26-27-23)17-3-7-18(24)8-4-17;3-2(4,5)1(6)7/h3-10,13,15,20-21H,11-12,14H2,1-2H3,(H,26,27);(H,6,7)/t20-,21+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001445
PNG
(CHEMBL3237386)
Show SMILES OC(=O)C(F)(F)F.CC(C)(C)CN1CC[C@H]([C@@H](C1)c1ccc(F)cc1)c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H29ClFN3.C2HF3O2/c1-25(2,3)16-30-13-12-21(22(15-30)17-6-10-20(27)11-7-17)24-14-23(28-29-24)18-4-8-19(26)9-5-18;3-2(4,5)1(6)7/h4-11,14,21-22H,12-13,15-16H2,1-3H3,(H,28,29);(H,6,7)/t21-,22+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50001312
PNG
(CHEMBL3237371)
Show SMILES OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H27BrClN3O.C2HF3O2/c26-19-5-1-17(2-6-19)23-15-21(30-11-13-31-14-12-30)9-10-22(23)25-16-24(28-29-25)18-3-7-20(27)8-4-18;3-2(4,5)1(6)7/h1-8,16,21-23H,9-15H2,(H,28,29);(H,6,7)/t21-,22-,23+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001312
PNG
(CHEMBL3237371)
Show SMILES OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H27BrClN3O.C2HF3O2/c26-19-5-1-17(2-6-19)23-15-21(30-11-13-31-14-12-30)9-10-22(23)25-16-24(28-29-25)18-3-7-20(27)8-4-18;3-2(4,5)1(6)7/h1-8,16,21-23H,9-15H2,(H,28,29);(H,6,7)/t21-,22-,23+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001306
PNG
(CHEMBL3237392)
Show SMILES OC(=O)C(F)(F)F.Cn1nc(cc1-c1ccc(F)cc1)C1(CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H30FN3.C2HF3O2/c1-32-27(24-12-14-26(30)15-13-24)22-28(31-32)29(25-10-6-3-7-11-25)17-20-33(21-18-29)19-16-23-8-4-2-5-9-23;3-2(4,5)1(6)7/h2-15,22H,16-21H2,1H3;(H,6,7)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001485
PNG
(CHEMBL3237372)
Show SMILES OC(=O)C(F)(F)F.Clc1ccc(cc1)-c1cc([nH]n1)[C@@H]1CC[C@@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H27BrClN3O.C2HF3O2/c26-19-5-1-17(2-6-19)23-15-21(30-11-13-31-14-12-30)9-10-22(23)25-16-24(28-29-25)18-3-7-20(27)8-4-18;3-2(4,5)1(6)7/h1-8,16,21-23H,9-15H2,(H,28,29);(H,6,7)/t21-,22+,23-;/m0./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001504
PNG
(CHEMBL3237375)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@H]1CN(CCc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H34ClFN2O.C2HF3O2/c36-30-15-11-26(12-16-30)19-21-38-22-20-32(33(23-38)27-13-17-31(37)18-14-27)34(40)39-24-35(25-39,28-7-3-1-4-8-28)29-9-5-2-6-10-29;3-2(4,5)1(6)7/h1-18,32-33H,19-25H2;(H,6,7)/t32-,33+;/m0./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001476
PNG
(CHEMBL3237369)
Show SMILES OC(=O)C(F)(F)F.Cc1ccccc1[C@@H]1C[C@@H](CC[C@H]1c1cc(n[nH]1)C(c1ccccc1)c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C33H37N3O.C2HF3O2/c1-24-10-8-9-15-28(24)30-22-27(36-18-20-37-21-19-36)16-17-29(30)31-23-32(35-34-31)33(25-11-4-2-5-12-25)26-13-6-3-7-14-26;3-2(4,5)1(6)7/h2-15,23,27,29-30,33H,16-22H2,1H3,(H,34,35);(H,6,7)/t27-,29-,30+;/m1./s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001484
PNG
(CHEMBL3237370)
Show SMILES OC(=O)C(F)(F)F.Cc1ccccc1[C@@H]1C[C@@H](CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H30ClN3O.C2HF3O2/c1-18-4-2-3-5-22(18)24-16-21(30-12-14-31-15-13-30)10-11-23(24)26-17-25(28-29-26)19-6-8-20(27)9-7-19;3-2(4,5)1(6)7/h2-9,17,21,23-24H,10-16H2,1H3,(H,28,29);(H,6,7)/t21-,23-,24+;/m1./s1
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001487
PNG
(CHEMBL3237374)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H34ClFN2O.C2HF3O2/c36-30-15-11-26(12-16-30)19-21-38-22-20-32(33(23-38)27-13-17-31(37)18-14-27)34(40)39-24-35(25-39,28-7-3-1-4-8-28)29-9-5-2-6-10-29;3-2(4,5)1(6)7/h1-18,32-33H,19-25H2;(H,6,7)/t32-,33+;/m1./s1
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n/an/a 990n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001530
PNG
(CHEMBL3237388)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CNCC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H19ClFN3.C2HF3O2/c21-15-5-1-14(2-6-15)19-11-20(25-24-19)17-9-10-23-12-18(17)13-3-7-16(22)8-4-13;3-2(4,5)1(6)7/h1-8,11,17-18,23H,9-10,12H2,(H,24,25);(H,6,7)/t17-,18+;/m1./s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50001528
PNG
(CHEMBL3237385)
Show SMILES OC(=O)C(F)(F)F.Fc1ccc(cc1)[C@@H]1CN(CC(F)(F)F)CC[C@H]1c1cc(n[nH]1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H20ClF4N3.C2HF3O2/c23-16-5-1-15(2-6-16)20-11-21(29-28-20)18-9-10-30(13-22(25,26)27)12-19(18)14-3-7-17(24)8-4-14;3-2(4,5)1(6)7/h1-8,11,18-19H,9-10,12-13H2,(H,28,29);(H,6,7)/t18-,19+;/m1./s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 24: 1657-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.070
BindingDB Entry DOI: 10.7270/Q2GB25JD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%