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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: P00730   
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))
BDBM50365328
PNG
(CHEMBL1955927)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H41N5O6/c1-3-20(2)26-29(39)33-24(18-21-12-6-4-7-13-21)27(37)32-17-11-10-16-23(28(38)36-26)34-31(42)35-25(30(40)41)19-22-14-8-5-9-15-22/h4-9,12-15,20,23-26H,3,10-11,16-19H2,1-2H3,(H,32,37)(H,33,39)(H,36,38)(H,40,41)(H2,34,35,42)/t20-,23+,24-,25-,26-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreas carboxypeptidase A using N-(4-methoxyphenylazoformyl)-phenylalanine as substrate after 5 mins by colorimetry


J Med Chem 55: 735-42 (2012)


Article DOI: 10.1021/jm201238p
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 |r|
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)


Article DOI: 10.1021/ja0277226
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50365329
PNG
(CHEMBL1955931)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H44N6O6/c1-3-20(2)26(29(40)34-24(27(33)38)18-21-12-6-4-7-13-21)37-28(39)23(16-10-11-17-32)35-31(43)36-25(30(41)42)19-22-14-8-5-9-15-22/h4-9,12-15,20,23-26H,3,10-11,16-19,32H2,1-2H3,(H2,33,38)(H,34,40)(H,37,39)(H,41,42)(H2,35,36,43)/t20-,23+,24-,25-,26-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreas carboxypeptidase A using N-(4-methoxyphenylazoformyl)-phenylalanine as substrate after 5 mins by colorimetry


J Med Chem 55: 735-42 (2012)


Article DOI: 10.1021/jm201238p
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 |r|
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)


Article DOI: 10.1021/ja0277226
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 |r|
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)


Article DOI: 10.1021/ja0277226
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 |r|
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)


Article DOI: 10.1021/ja0277226
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 |r|
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)


Article DOI: 10.1021/ja0277226
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 |r|
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)


Article DOI: 10.1021/ja0277226
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 |r|
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)


Article DOI: 10.1021/ja0277226
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 |r|
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)


Article DOI: 10.1021/ja0277226
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50289561
PNG
(4-tert-Butyl-benzoic acid [1-(2-hydroxy-naphthalen...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)/b23-14+
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit carboxypeptidase A (CPA, bovine, Type I) was evaluated


Bioorg Med Chem Lett 7: 1557-1562 (1997)


Article DOI: 10.1016/S0960-894X(97)00267-9
More data for this
Ligand-Target Pair