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PubMed code 3005569

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50452268
PNG
(CHEMBL2114219)
Show SMILES OC(=O)CN1CCCCC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c22-17(23)13-21-12-6-2-5-9-15(18(21)24)20-16(19(25)26)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,22,23)(H,25,26)/t15-,16-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021267
PNG
(2-(1-Carboxymethyl-2-oxo-azocan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c22-17(23)13-21-12-6-2-5-9-15(18(21)24)20-16(19(25)26)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,22,23)(H,25,26)
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021268
PNG
(2-(1-Carboxymethyl-2-oxo-azonan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C20H28N2O5/c23-18(24)14-22-13-7-2-1-6-10-16(19(22)25)21-17(20(26)27)12-11-15-8-4-3-5-9-15/h3-5,8-9,16-17,21H,1-2,6-7,10-14H2,(H,23,24)(H,26,27)
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021269
PNG
(2-(1-Carboxymethyl-2-oxo-azepan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C18H24N2O5/c21-16(22)12-20-11-5-4-8-14(17(20)23)19-15(18(24)25)10-9-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,21,22)(H,24,25)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50226147
PNG
(CHEMBL3350294)
Show SMILES OC(=O)CN1CCCCC[C@@H](N[C@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c22-17(23)13-21-12-6-2-5-9-15(18(21)24)20-16(19(25)26)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,22,23)(H,25,26)/t15-,16-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021266
PNG
(2-(1-Carboxymethyl-2-oxo-piperidin-3-ylamino)-4-ph...)
Show SMILES OC(=O)CN1CCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C17H22N2O5/c20-15(21)11-19-10-4-7-13(16(19)22)18-14(17(23)24)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H,20,21)(H,23,24)
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer A) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021269
PNG
(2-(1-Carboxymethyl-2-oxo-azepan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C18H24N2O5/c21-16(22)12-20-11-5-4-8-14(17(20)23)19-15(18(24)25)10-9-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,21,22)(H,24,25)
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer A) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021268
PNG
(2-(1-Carboxymethyl-2-oxo-azonan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C20H28N2O5/c23-18(24)14-22-13-7-2-1-6-10-16(19(22)25)21-17(20(26)27)12-11-15-8-4-3-5-9-15/h3-5,8-9,16-17,21H,1-2,6-7,10-14H2,(H,23,24)(H,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer A) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021267
PNG
(2-(1-Carboxymethyl-2-oxo-azocan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c22-17(23)13-21-12-6-2-5-9-15(18(21)24)20-16(19(25)26)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,22,23)(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer A) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021266
PNG
(2-(1-Carboxymethyl-2-oxo-piperidin-3-ylamino)-4-ph...)
Show SMILES OC(=O)CN1CCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C17H22N2O5/c20-15(21)11-19-10-4-7-13(16(19)22)18-14(17(23)24)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H,20,21)(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021270
PNG
(2-(1-Carboxymethyl-2-oxo-pyrrolidin-3-ylamino)-4-p...)
Show SMILES OC(=O)CN1CCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C16H20N2O5/c19-14(20)10-18-9-8-12(15(18)21)17-13(16(22)23)7-6-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H,19,20)(H,22,23)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021270
PNG
(2-(1-Carboxymethyl-2-oxo-pyrrolidin-3-ylamino)-4-p...)
Show SMILES OC(=O)CN1CCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C16H20N2O5/c19-14(20)10-18-9-8-12(15(18)21)17-13(16(22)23)7-6-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H,19,20)(H,22,23)
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n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020390
PNG
((2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbox...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021273
PNG
((3-Amino-2-oxo-azocan-1-yl)-acetic acid | CHEMBL84...)
Show SMILES NC1CCCCCN(CC(O)=O)C1=O
Show InChI InChI=1S/C9H16N2O3/c10-7-4-2-1-3-5-11(9(7)14)6-8(12)13/h7H,1-6,10H2,(H,12,13)
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n/an/a 4.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021271
PNG
((3-Amino-2-oxo-azepan-1-yl)-acetic acid | CHEMBL31...)
Show SMILES NC1CCCCN(CC(O)=O)C1=O
Show InChI InChI=1S/C8H14N2O3/c9-6-3-1-2-4-10(8(6)13)5-7(11)12/h6H,1-5,9H2,(H,11,12)
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n/an/a 4.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021274
PNG
((3-Amino-2-oxo-piperidin-1-yl)-acetic acid | CHEMB...)
Show SMILES NC1CCCN(CC(O)=O)C1=O
Show InChI InChI=1S/C7H12N2O3/c8-5-2-1-3-9(7(5)12)4-6(10)11/h5H,1-4,8H2,(H,10,11)
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n/an/a 1.70E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%