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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50036780   
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
Aminopeptidase A


(Homo sapiens)
BDBM50083386
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
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0.873n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083385
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
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4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083390
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9-,11+,12-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083374
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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12n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083403
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13-/m1/s1
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13n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083392
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9-,11+,12+/m0/s1
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15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083387
PNG
(1-{[1-(1-Carbamoyl-2-carboxy-ethylcarbamoyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C15H28N4O8S2/c1-3-7(2)11(14(23)18-9(13(17)22)6-10(20)21)19-15(24)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H2,17,22)(H,18,23)(H,19,24)(H,20,21)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083400
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13+/m1/s1
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16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
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17n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083384
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9+,11+,12-/m1/s1
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20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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22n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083395
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15+/m1/s1
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27n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
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34n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083398
PNG
((3R,4R)-3-ammonio-5-{[(1S)-1-carboxy-2-methylbutyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(O)=O
Show InChI InChI=1S/C11H22N2O6S2/c1-3-6(2)8(11(15)16)13-10(14)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1
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40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083377
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9+,11+,12+/m1/s1
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50n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083375
PNG
(3-[(1S,2R)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2-...)
Show SMILES CC[C@@H](C)[C@H](NCC(S)C([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H30N4O7S2/c1-3-8(2)13(14(22)19-10(15(23)24)6-12(20)21)18-7-11(27)9(16)4-5-28(17,25)26/h8-11,13,18,27H,3-7,16H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)(H2,17,25,26)/p+1/t8-,9?,10+,11?,13+/m1/s1
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51n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083402
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12+/m1/s1
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53n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083399
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15+/m1/s1
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73n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083380
PNG
(1-{[(1S,2R)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C(S)C([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N4O8S2/c1-3-7(2)11(13(22)18-9(15(24)25)6-10(20)21)19-14(23)12(28)8(16)4-5-29(17,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)(H2,17,26,27)/p+1/t7-,8?,9+,11+,12?/m1/s1
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80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083389
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11+/m1/s1
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83n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083372
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13+/m1/s1
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110n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50083403
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13-/m1/s1
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120n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against aminopeptidase N from pig kidney


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083388
PNG
((3R,4R)-5-{[(1S)-1-(aminocarbonyl)-2-methylbutyl]a...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(N)=O
Show InChI InChI=1S/C11H23N3O5S2/c1-3-6(2)8(10(13)15)14-11(16)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1
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145n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083383
PNG
(1-{[(S)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2-(4-...)
Show SMILES NS(=O)(=O)CCC([NH3+])C(S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H26N4O9S2/c19-11(5-6-33(20,30)31)15(32)17(27)21-12(7-9-1-3-10(23)4-2-9)16(26)22-13(18(28)29)8-14(24)25/h1-4,11-13,15,23,32H,5-8,19H2,(H,21,27)(H,22,26)(H,24,25)(H,28,29)(H2,20,30,31)/p+1/t11?,12-,13-,15?/m0/s1
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150n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083386
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
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219n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083401
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13+/m1/s1
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240n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083386
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
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259n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083391
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13+/m1/s1
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267n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083373
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9-,11+,12+/m1/s1
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283n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083397
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9-,11+,12-/m0/s1
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292n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083381
PNG
(1-{[1-(1-Carbamoyl-2-carboxy-ethylcarbamoyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C15H28N4O8S2/c1-3-7(2)11(14(23)18-9(13(17)22)6-10(20)21)19-15(24)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H2,17,22)(H,18,23)(H,19,24)(H,20,21)(H,25,26,27)/t7-,8-,9+,11+,12+/m1/s1
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470n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083374
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15-/m1/s1
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520n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083385
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13-/m1/s1
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520n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083374
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15-/m1/s1
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660n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083371
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12+/m1/s1
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910n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083385
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13-/m1/s1
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1.09E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens)
BDBM50083379
PNG
((3R,4S)-3-ammonio-5-{[(1S)-1-carboxy-2-methylbutyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(O)=O
Show InChI InChI=1S/C11H22N2O6S2/c1-3-6(2)8(11(15)16)13-10(14)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/t6-,7-,8+,9+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
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1.21E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50083375
PNG
(3-[(1S,2R)-1-((S)-1,2-Dicarboxy-ethylcarbamoyl)-2-...)
Show SMILES CC[C@@H](C)[C@H](NCC(S)C([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H30N4O7S2/c1-3-8(2)13(14(22)19-10(15(23)24)6-12(20)21)18-7-11(27)9(16)4-5-28(17,25)26/h8-11,13,18,27H,3-7,16H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)(H2,17,25,26)/p+1/t8-,9?,10+,11?,13+/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against aminopeptidase N from pig kidney


J Med Chem 42: 5197-211 (2000)


Article DOI: 10.1021/jm9903040
BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
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