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Found 2203 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-Converting Enzyme'   
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))
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 10n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
BDBM21480
PNG
((2S)-2-{[(1S)-1-carboxy-2-[1-(cyclohexylmethyl)-1H...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1CC1CCCCC1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H31N3O4/c1-13(2)8-16(18(23)24)21-17(19(25)26)9-15-10-20-12-22(15)11-14-6-4-3-5-7-14/h10,12-14,16-17,21H,3-9,11H2,1-2H3,(H,23,24)(H,25,26)/t16-,17-/m0/s1
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n/an/a 270n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 1.40n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 10n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 4.20n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
BDBM21485
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(2-methylphenyl)meth...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccccc1C)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)11-15-7-5-4-6-14(15)3/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 290n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 32n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
BDBM21483
PNG
((2S)-2-{[(1S)-1-carboxy-2-(1-{[4-(trifluoromethoxy...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(OC(F)(F)F)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H24F3N3O5/c1-12(2)7-16(18(27)28)25-17(19(29)30)8-14-9-24-11-26(14)10-13-3-5-15(6-4-13)31-20(21,22)23/h3-6,9,11-12,16-17,25H,7-8,10H2,1-2H3,(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 52n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 21n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
BDBM21481
PNG
((2S)-2-{[(1S)-1-carboxy-2-{1-[(4-nitrophenyl)methy...)
Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H24N4O6/c1-12(2)7-16(18(24)25)21-17(19(26)27)8-15-9-20-11-22(15)10-13-3-5-14(6-4-13)23(28)29/h3-6,9,11-12,16-17,21H,7-8,10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
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n/an/a 76n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 0.440n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


BindingDB Entry DOI: 10.7270/Q2KP80FN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21479
PNG
((2S)-2-{[(1S)-2-(1-benzyl-1H-imidazol-5-yl)-1-carb...)
Show SMILES OC(=O)[C@H](Cc1cncn1Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23N3O4/c26-21(27)19(11-16-7-3-1-4-8-16)24-20(22(28)29)12-18-13-23-15-25(18)14-17-9-5-2-6-10-17/h1-10,13,15,19-20,24H,11-12,14H2,(H,26,27)(H,28,29)/t19-,20-/m0/s1
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n/an/a 340n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Homo sapiens (human))
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 300n/an/an/an/a6.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


BindingDB Entry DOI: 10.7270/Q2KP80FN
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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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
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
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))
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))
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))
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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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
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
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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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))
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))
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))
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))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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>1.00E+4>-28.5n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
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))
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))
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
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))
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
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))
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))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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>1.00E+4>-28.5n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme


(Sus scrofa (pig))
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
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Sus scrofa (pig))
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>1.00E+5n/an/an/an/a7.522



Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Sus scrofa (pig))
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
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Sus scrofa (pig))
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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Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Sus scrofa (pig))
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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Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Sus scrofa (pig))
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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Millennium Pharmaceuticals



Assay Description
Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission...


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


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


(Oryctolagus cuniculus)
BDBM50044868
PNG
(7-(1-Carboxy-3-phenyl-propylamino)-6-oxo-1,2,3,4,6...)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2C2CCC[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C25H28N2O5/c28-23-20(26-19(24(29)30)14-13-16-7-2-1-3-8-16)15-17-9-4-5-10-18(17)21-11-6-12-22(25(31)32)27(21)23/h1-5,7-10,19-22,26H,6,11-15H2,(H,29,30)(H,31,32)/t19-,20+,21?,22+/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


Article DOI: 10.1021/jm00068a022
BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


Article DOI: 10.1021/jm00068a022
BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
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