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Compile Data Set for Download or QSAR

Found 303 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase A1'   
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
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530229
PNG
(CHEMBL4460840)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530229
PNG
(CHEMBL4460840)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530230
PNG
(CHEMBL4445882)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54|
Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530230
PNG
(CHEMBL4445882)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54|
Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530235
PNG
(CHEMBL4436298)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C27H37N2O6P/c1-19(2)16-24(28-20(3)30)26(31)29-25(17-22-12-8-5-9-13-22)36(34,35)18-23(27(32)33)15-14-21-10-6-4-7-11-21/h4-13,19,23-25H,14-18H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/t23-,24+,25-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530235
PNG
(CHEMBL4436298)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C27H37N2O6P/c1-19(2)16-24(28-20(3)30)26(31)29-25(17-22-12-8-5-9-13-22)36(34,35)18-23(27(32)33)15-14-21-10-6-4-7-11-21/h4-13,19,23-25H,14-18H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/t23-,24+,25-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530231
PNG
(CHEMBL4528407)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
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0.0870n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530231
PNG
(CHEMBL4528407)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
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0.0870n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530230
PNG
(CHEMBL4445882)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54|
Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1
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0.0890n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530230
PNG
(CHEMBL4445882)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54|
Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1
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0.0890n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530228
PNG
(CHEMBL4483485)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
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0.107n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530228
PNG
(CHEMBL4483485)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
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0.107n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530227
PNG
(CHEMBL4454162)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530227
PNG
(CHEMBL4454162)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530231
PNG
(CHEMBL4528407)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530231
PNG
(CHEMBL4528407)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530228
PNG
(CHEMBL4483485)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530227
PNG
(CHEMBL4454162)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530228
PNG
(CHEMBL4483485)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530227
PNG
(CHEMBL4454162)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530230
PNG
(CHEMBL4445882)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54|
Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530230
PNG
(CHEMBL4445882)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54|
Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530237
PNG
(CHEMBL4513310)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H40N3O9P/c1-20(41(37,38)19-23(28(35)36)10-7-21-5-3-2-4-6-21)30-27(34)25(17-22-8-11-24(32)12-9-22)31-26(33)18-40-16-15-39-14-13-29/h2-6,8-9,11-12,20,23,25,32H,7,10,13-19,29H2,1H3,(H,30,34)(H,31,33)(H,35,36)(H,37,38)/t20-,23-,25+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21471
PNG
(2-benzyl-3-{[1-(2-acetamido-4-methylpentanamido)-2...)
Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
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0.300n/an/an/an/an/an/an/an/a



University of Athens



Assay Description
Inhibitor potencies toward bovine carboxypeptidase A (Sigma-Aldrich Co) were determined in 96-well microplates format. Activity was monitored by meas...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530237
PNG
(CHEMBL4513310)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H40N3O9P/c1-20(41(37,38)19-23(28(35)36)10-7-21-5-3-2-4-6-21)30-27(34)25(17-22-8-11-24(32)12-9-22)31-26(33)18-40-16-15-39-14-13-29/h2-6,8-9,11-12,20,23,25,32H,7,10,13-19,29H2,1H3,(H,30,34)(H,31,33)(H,35,36)(H,37,38)/t20-,23-,25+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530231
PNG
(CHEMBL4528407)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530231
PNG
(CHEMBL4528407)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21464
PNG
(2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...)
Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14|
Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)
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0.5n/an/an/an/an/an/an/an/a



University of Athens



Assay Description
Inhibitor potencies toward bovine carboxypeptidase A (Sigma-Aldrich Co) were determined in 96-well microplates format. Activity was monitored by meas...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530228
PNG
(CHEMBL4483485)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530228
PNG
(CHEMBL4483485)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530227
PNG
(CHEMBL4454162)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530227
PNG
(CHEMBL4454162)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530233
PNG
(CHEMBL4532731)
Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H34N3O6P/c1-15(25)23-19(10-6-7-13-22)20(26)24-16(2)31(29,30)14-18(21(27)28)12-11-17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-14,22H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t16-,18-,19+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530233
PNG
(CHEMBL4532731)
Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H34N3O6P/c1-15(25)23-19(10-6-7-13-22)20(26)24-16(2)31(29,30)14-18(21(27)28)12-11-17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-14,22H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t16-,18-,19+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530236
PNG
(CHEMBL4453900)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C20H29N2O6P/c1-14(21-19(24)18-9-6-12-22(18)15(2)23)29(27,28)13-17(20(25)26)11-10-16-7-4-3-5-8-16/h3-5,7-8,14,17-18H,6,9-13H2,1-2H3,(H,21,24)(H,25,26)(H,27,28)/t14-,17-,18+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530236
PNG
(CHEMBL4453900)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C20H29N2O6P/c1-14(21-19(24)18-9-6-12-22(18)15(2)23)29(27,28)13-17(20(25)26)11-10-16-7-4-3-5-8-16/h3-5,7-8,14,17-18H,6,9-13H2,1-2H3,(H,21,24)(H,25,26)(H,27,28)/t14-,17-,18+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530234
PNG
(CHEMBL4448096)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C20H29N2O8P/c1-13(23)21-17(10-11-18(24)25)19(26)22-14(2)31(29,30)12-16(20(27)28)9-8-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)(H,27,28)(H,29,30)/t14-,16-,17+/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530234
PNG
(CHEMBL4448096)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C20H29N2O8P/c1-13(23)21-17(10-11-18(24)25)19(26)22-14(2)31(29,30)12-16(20(27)28)9-8-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)(H,27,28)(H,29,30)/t14-,16-,17+/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530232
PNG
(CHEMBL4440735)
Show SMILES C[C@H](NC(=O)[C@H](CO)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C18H27N2O7P/c1-12(22)19-16(10-21)17(23)20-13(2)28(26,27)11-15(18(24)25)9-8-14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-11H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)(H,26,27)/t13-,15-,16+/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50530232
PNG
(CHEMBL4440735)
Show SMILES C[C@H](NC(=O)[C@H](CO)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C18H27N2O7P/c1-12(22)19-16(10-21)17(23)20-13(2)28(26,27)11-15(18(24)25)9-8-14-6-4-3-5-7-14/h3-7,13,15-16,21H,8-11H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)(H,26,27)/t13-,15-,16+/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...


J Med Chem 62: 1917-1931 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01465
BindingDB Entry DOI: 10.7270/Q2K077R9
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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10n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.


J Med Chem 45: 911-8 (2002)


BindingDB Entry DOI: 10.7270/Q2VM4BJD
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate


Bioorg Med Chem Lett 1: 317-322 (1991)


Article DOI: 10.1016/S0960-894X(01)80816-7
BindingDB Entry DOI: 10.7270/Q2VH5NR5
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic carboxypeptidase A


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279954
PNG
(3-(3-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1cccc(F)c1
Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,14H,4,6H2,(H,12,13)
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate


Bioorg Med Chem Lett 1: 317-322 (1991)


Article DOI: 10.1016/S0960-894X(01)80816-7
BindingDB Entry DOI: 10.7270/Q2VH5NR5
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21473
PNG
(3-{[1-(2-acetamido-4-methylpentanoyl)pyrrolidin-2-...)
Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O |c:14|
Show InChI InChI=1S/C25H34N3O7P/c1-16(2)12-22(26-17(3)29)24(30)28-11-7-10-23(28)36(33,34)15-19(25(31)32)13-20-14-21(27-35-20)18-8-5-4-6-9-18/h4-6,8-10,14,16,19,22,33-34,36H,7,11-13,15H2,1-3H3,(H,26,29)(H,31,32)
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35n/an/an/an/an/an/an/an/a



University of Athens



Assay Description
Inhibitor potencies toward bovine carboxypeptidase A (Sigma-Aldrich Co) were determined in 96-well microplates format. Activity was monitored by meas...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279947
PNG
(3-(4-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1ccc(F)cc1
Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate


Bioorg Med Chem Lett 1: 317-322 (1991)


Article DOI: 10.1016/S0960-894X(01)80816-7
BindingDB Entry DOI: 10.7270/Q2VH5NR5
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279947
PNG
(3-(4-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1ccc(F)cc1
Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279958
PNG
(3-(2-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1ccccc1F
Show InChI InChI=1S/C10H11FO2S/c11-9-4-2-1-3-7(9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)
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45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate


Bioorg Med Chem Lett 1: 317-322 (1991)


Article DOI: 10.1016/S0960-894X(01)80816-7
BindingDB Entry DOI: 10.7270/Q2VH5NR5
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109588
PNG
((S)3-Mercapto-2-phenethylamino-propionic acid | CH...)
Show SMILES OC(=O)[C@@H](CS)NCCc1ccccc1
Show InChI InChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)/t10-/m1/s1
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55n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.


J Med Chem 45: 911-8 (2002)


BindingDB Entry DOI: 10.7270/Q2VM4BJD
More data for this
Ligand-Target Pair
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