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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 2514   
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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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PubMed
0.130 -56.4n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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))
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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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PubMed
0.400 -53.6n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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PubMed
0.700 -52.3n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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PubMed
1.25 -50.8n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21467
PNG
(2-benzyl-3-({1-[2-acetamido-3-(4-hydroxyphenyl)pro...)
Show SMILES CC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31N2O7P/c1-17(28)26-22(15-19-9-11-21(29)12-10-19)24(30)27-13-5-8-23(27)35(33,34)16-20(25(31)32)14-18-6-3-2-4-7-18/h2-4,6-12,20,22,29,33-35H,5,13-16H2,1H3,(H,26,28)(H,31,32)
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PubMed
5.20 -47.3n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21468
PNG
(2-benzyl-3-{[1-(2-acetamido-3-phenylpropanoyl)pyrr...)
Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31N2O6P/c1-18(28)26-22(16-20-11-6-3-7-12-20)24(29)27-14-8-13-23(27)34(32,33)17-21(25(30)31)15-19-9-4-2-5-10-19/h2-7,9-13,21-22,32-34H,8,14-17H2,1H3,(H,26,28)(H,30,31)
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5.20 -47.3n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21465
PNG
(3-{[1-(6-amino-2-acetamidohexanoyl)pyrrolidin-2-yl...)
Show SMILES CC(=O)NC(CCCCN)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H34N3O6P/c1-16(26)24-19(10-5-6-12-23)21(27)25-13-7-11-20(25)32(30,31)15-18(22(28)29)14-17-8-3-2-4-9-17/h2-4,8-9,11,18-19,30-32H,5-7,10,12-15,23H2,1H3,(H,24,26)(H,28,29)
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PubMed
6.5 -46.7n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21469
PNG
(2-benzyl-3-{[1-(2-acetamido-3-methylbutanoyl)pyrro...)
Show SMILES CC(C)C(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N2O6P/c1-14(2)19(22-15(3)24)20(25)23-11-7-10-18(23)30(28,29)13-17(21(26)27)12-16-8-5-4-6-9-16/h4-6,8-10,14,17,19,28-30H,7,11-13H2,1-3H3,(H,22,24)(H,26,27)
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6.60 -46.7n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21466
PNG
(5-{2-[(2-benzyl-2-carboxyethyl)(hydroxy)phosphoryl...)
Show SMILES CC(=O)NC(CCC(O)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H29N2O8P/c1-14(24)22-17(9-10-19(25)26)20(27)23-11-5-8-18(23)32(30,31)13-16(21(28)29)12-15-6-3-2-4-7-15/h2-4,6-8,16-17,30-32H,5,9-13H2,1H3,(H,22,24)(H,25,26)(H,28,29)
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7 -46.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21463
PNG
(2-benzyl-3-{[1-(2-acetamidopropanoyl)pyrrolidin-2-...)
Show SMILES CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H27N2O6P/c1-13(20-14(2)22)18(23)21-10-6-9-17(21)28(26,27)12-16(19(24)25)11-15-7-4-3-5-8-15/h3-5,7-9,13,16,26-28H,6,10-12H2,1-2H3,(H,20,22)(H,24,25)
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7.5 -46.4n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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220 -38.0n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21452
PNG
(2-benzyl-3-({1-[(benzyloxy)carbonyl]pyrrolidin-2-y...)
Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H26NO6P/c24-21(25)19(14-17-8-3-1-4-9-17)16-30(27,28)20-12-7-13-23(20)22(26)29-15-18-10-5-2-6-11-18/h1-6,8-12,19,27-28,30H,7,13-16H2,(H,24,25)
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300 -37.2n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21454
PNG
(2-[({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}(hydro...)
Show SMILES CC(C)CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H28NO6P/c1-14(2)11-16(18(21)22)13-27(24,25)17-9-6-10-20(17)19(23)26-12-15-7-4-3-5-8-15/h3-5,7-9,14,16,24-25,27H,6,10-13H2,1-2H3,(H,21,22)
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300 -37.2n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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800 -34.8n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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920 -34.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21455
PNG
(3-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}(hydrox...)
Show SMILES CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H22NO6P/c1-12(15(18)19)11-24(21,22)14-8-5-9-17(14)16(20)23-10-13-6-3-2-4-7-13/h2-4,6-8,12,21-22,24H,5,9-11H2,1H3,(H,18,19)
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3.00E+3 -31.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21458
PNG
(2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}-3-meth...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H30NO6P/c1-17(2)13-21(24-23(27)30-15-19-11-7-4-8-12-19)31(28,29)16-20(22(25)26)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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PubMed
8.00E+3 -29.1n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
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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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21461
PNG
(3-[(1-amino-3-methylbutyl)(hydroxy)phosphoryl]-2-b...)
Show SMILES CC(C)CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H24NO4P/c1-11(2)8-14(16)21(19,20)10-13(15(17)18)9-12-6-4-3-5-7-12/h3-7,11,13,16,19-21H,8-10H2,1-2H3,(H,17,18)
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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21459
PNG
(3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-benzylprop...)
Show SMILES CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H18NO4P/c1-9(13)18(16,17)8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13,16-18H,7-8H2,1H3,(H,14,15)
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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21456
PNG
(2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}ethyl)(...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H24NO6P/c1-15(21-20(24)27-13-17-10-6-3-7-11-17)28(25,26)14-18(19(22)23)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)(H,22,23)(H,25,26)
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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21460
PNG
(3-[(1-amino-2-phenylethyl)(hydroxy)phosphoryl]-2-b...)
Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C18H22NO4P/c19-17(12-15-9-5-2-6-10-15)24(22,23)13-16(18(20)21)11-14-7-3-1-4-8-14/h1-10,16,19,22-24H,11-13H2,(H,20,21)
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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21462
PNG
(2-benzyl-3-[hydroxy(pyrrolidin-2-yl)phosphoryl]pro...)
Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(O)C1=NCCC1
Show InChI InChI=1S/C14H20NO4P/c16-14(17)12(9-11-5-2-1-3-6-11)10-20(18,19)13-7-4-8-15-13/h1-3,5-6,12,18-20H,4,7-10H2,(H,16,17)
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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21457
PNG
(2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}-2-phen...)
Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H28NO6P/c28-25(29)23(16-20-10-4-1-5-11-20)19-34(31,32)24(17-21-12-6-2-7-13-21)27-26(30)33-18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,30)(H,28,29)(H,31,32)
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>1.00E+4>-28.5n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


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