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Compile Data Set for Download or QSAR

Found 15 hits of Enz. Inhib. data with enzyme = 'Carboxypeptidase A1' and Substrate = 'BDBM21477'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


(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
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


(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
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))
BDBM21470
PNG
(2-benzyl-3-({1-[2-acetamido-3-(1H-imidazol-4-yl)pr...)
Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N4O6P/c1-15(27)25-19(11-18-12-23-14-24-18)21(28)26-9-5-8-20(26)33(31,32)13-17(22(29)30)10-16-6-3-2-4-7-16/h2-4,6-8,12,14,17,19,31-33H,5,9-11,13H2,1H3,(H,23,24)(H,25,27)(H,29,30)
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60n/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))
BDBM21472
PNG
(2-benzyl-3-({1-[2-acetamido-3-(1H-imidazol-4-yl)pr...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H33N4O6P/c1-15(2)9-21(27-22(29)20(26-16(3)28)11-19-12-24-14-25-19)34(32,33)13-18(23(30)31)10-17-7-5-4-6-8-17/h4-8,12,14-15,18,20-21H,9-11,13H2,1-3H3,(H,24,25)(H,26,28)(H,27,29)(H,30,31)(H,32,33)
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175n/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))
BDBM21474
PNG
(3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanoyl]p...)
Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H30N5O7P/c1-16(31)28-22(11-19-13-26-15-27-19)24(32)30-9-5-8-23(30)38(35,36)14-18(25(33)34)10-20-12-21(29-37-20)17-6-3-2-4-7-17/h2-4,6-8,12-13,15,18,22,35-36,38H,5,9-11,14H2,1H3,(H,26,27)(H,28,31)(H,33,34)
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1.05E+3n/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))
BDBM21475
PNG
(3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanamido...)
Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N5O7P/c1-16(2)9-24(30-25(33)23(29-17(3)32)11-20-13-27-15-28-20)39(36,37)14-19(26(34)35)10-21-12-22(31-38-21)18-7-5-4-6-8-18/h4-8,12-13,15-16,19,23-24H,9-11,14H2,1-3H3,(H,27,28)(H,29,32)(H,30,33)(H,34,35)(H,36,37)
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>1.00E+4n/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))
BDBM21478
PNG
((2S)-2-{[(1S)-2-(1-benzyl-1H-imidazol-5-yl)-1-carb...)
Show SMILES CC[C@H](N[C@@H](Cc1cncn1Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C17H21N3O4/c1-2-14(16(21)22)19-15(17(23)24)8-13-9-18-11-20(13)10-12-6-4-3-5-7-12/h3-7,9,11,14-15,19H,2,8,10H2,1H3,(H,21,22)(H,23,24)/t14-,15-/m0/s1
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n/an/a 2.80E+3n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21482
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(4-chlorophenyl)meth...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H24ClN3O4/c1-12(2)7-16(18(24)25)22-17(19(26)27)8-15-9-21-11-23(15)10-13-3-5-14(20)6-4-13/h3-6,9,11-12,16-17,22H,7-8,10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21484
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(4-methylphenyl)meth...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(C)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O4/c1-13(2)8-17(19(24)25)22-18(20(26)27)9-16-10-21-12-23(16)11-15-6-4-14(3)5-7-15/h4-7,10,12-13,17-18,22H,8-9,11H2,1-3H3,(H,24,25)(H,26,27)/t17-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21486
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(3-methylphenyl)meth...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cccc(C)c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O4/c1-13(2)7-17(19(24)25)22-18(20(26)27)9-16-10-21-12-23(16)11-15-6-4-5-14(3)8-15/h4-6,8,10,12-13,17-18,22H,7,9,11H2,1-3H3,(H,24,25)(H,26,27)/t17-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21487
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,4-dimethylphenyl)...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(C)c(C)c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H29N3O4/c1-13(2)7-18(20(25)26)23-19(21(27)28)9-17-10-22-12-24(17)11-16-6-5-14(3)15(4)8-16/h5-6,8,10,12-13,18-19,23H,7,9,11H2,1-4H3,(H,25,26)(H,27,28)/t18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21488
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dimethylphenyl)...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(C)cc(C)c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H29N3O4/c1-13(2)5-18(20(25)26)23-19(21(27)28)9-17-10-22-12-24(17)11-16-7-14(3)6-15(4)8-16/h6-8,10,12-13,18-19,23H,5,9,11H2,1-4H3,(H,25,26)(H,27,28)/t18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21491
PNG
((2S)-2-{[(1S)-1-carboxy-2-[1-(2-cyclohexylpropan-2...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1C(C)(C)C1CCCCC1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H35N3O4/c1-14(2)10-17(19(25)26)23-18(20(27)28)11-16-12-22-13-24(16)21(3,4)15-8-6-5-7-9-15/h12-15,17-18,23H,5-11H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 1.20E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM21489
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1
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n/an/a 2.70E+4n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in ab...


J Am Chem Soc 124: 11852-3 (2002)


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair