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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'pham' and Initial = 'i'   
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
Neprilysin


(Homo sapiens (Human))
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407299
PNG
(CHEMBL2052007)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407299
PNG
(CHEMBL2052007)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407298
PNG
(CHEMBL2051772)
Show SMILES C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17-,18+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50407298
PNG
(CHEMBL2051772)
Show SMILES C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17-,18+/m1/s1
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10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50407299
PNG
(CHEMBL2052007)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1
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26n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50407299
PNG
(CHEMBL2052007)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1
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26n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041071
PNG
((2-Mercaptomethyl-3-phenyl-butyrylamino)-acetic ac...)
Show SMILES CC(C(CS)C(=O)NCC(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(10-5-3-2-4-6-10)11(8-18)13(17)14-7-12(15)16/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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n/an/a 1.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041069
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H21NO4S/c21-16-8-6-14(7-9-16)11-17(19(23)24)20-18(22)15(12-25)10-13-4-2-1-3-5-13/h1-9,15,17,21,25H,10-12H2,(H,20,22)(H,23,24)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041067
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041058
PNG
(2-(3-Benzo[1,3]dioxol-5-yl-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C15H19NO5S/c1-8(10-3-4-12-13(5-10)21-7-20-12)11(6-22)14(17)16-9(2)15(18)19/h3-5,8-9,11,22H,6-7H2,1-2H3,(H,16,17)(H,18,19)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041070
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-2-17(15-6-4-3-5-7-15)18(13-27)20(24)22-19(21(25)26)12-14-8-10-16(23)11-9-14/h3-11,17-19,23,27H,2,12-13H2,1H3,(H,22,24)(H,25,26)
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n/an/a 2.40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041054
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-13(15-5-3-2-4-6-15)17(12-26)19(23)21-18(20(24)25)11-14-7-9-16(22)10-8-14/h2-10,13,17-18,22,26H,11-12H2,1H3,(H,21,23)(H,24,25)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50041062
PNG
(3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...)
Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against Neutral Endopeptidase by measuring the displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041061
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-hexanoi...)
Show SMILES CCCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-3-4-10-15(17(20)21)18-16(19)14(11-22)12(2)13-8-6-5-7-9-13/h5-9,12,14-15,22H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041059
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-4-methy...)
Show SMILES CC(C)CC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(17(20)21)18-16(19)14(10-22)12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 3.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041053
PNG
(2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C14H17F2NO3S/c1-7(9-3-4-11(15)12(16)5-9)10(6-21)13(18)17-8(2)14(19)20/h3-5,7-8,10,21H,6H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 3.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041062
PNG
(3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...)
Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041063
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-pentano...)
Show SMILES CCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-3-7-14(16(19)20)17-15(18)13(10-21)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13-14,21H,3,7,10H2,1-2H3,(H,17,18)(H,19,20)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041066
PNG
(3-Benzyloxy-2-(2-mercaptomethyl-3-phenyl-butyrylam...)
Show SMILES CC(C(CS)C(=O)NC(COCc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-15(17-10-6-3-7-11-17)18(14-27)20(23)22-19(21(24)25)13-26-12-16-8-4-2-5-9-16/h2-11,15,18-19,27H,12-14H2,1H3,(H,22,23)(H,24,25)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041060
PNG
(2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyr...)
Show SMILES COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO6S/c1-13(15-6-9-19(28-2)20(11-15)29-3)17(12-30)21(25)23-18(22(26)27)10-14-4-7-16(24)8-5-14/h4-9,11,13,17-18,24,30H,10,12H2,1-3H3,(H,23,25)(H,26,27)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041063
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-pentano...)
Show SMILES CCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-3-7-14(16(19)20)17-15(18)13(10-21)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13-14,21H,3,7,10H2,1-2H3,(H,17,18)(H,19,20)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041054
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-13(15-5-3-2-4-6-15)17(12-26)19(23)21-18(20(24)25)11-14-7-9-16(22)10-8-14/h2-10,13,17-18,22,26H,11-12H2,1H3,(H,21,23)(H,24,25)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041057
PNG
(2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H21F2NO4S/c1-11(13-4-7-16(21)17(22)9-13)15(10-28)19(25)23-18(20(26)27)8-12-2-5-14(24)6-3-12/h2-7,9,11,15,18,24,28H,8,10H2,1H3,(H,23,25)(H,26,27)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041053
PNG
(2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C14H17F2NO3S/c1-7(9-3-4-11(15)12(16)5-9)10(6-21)13(18)17-8(2)14(19)20/h3-5,7-8,10,21H,6H2,1-2H3,(H,17,18)(H,19,20)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041057
PNG
(2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H21F2NO4S/c1-11(13-4-7-16(21)17(22)9-13)15(10-28)19(25)23-18(20(26)27)8-12-2-5-14(24)6-3-12/h2-7,9,11,15,18,24,28H,8,10H2,1H3,(H,23,25)(H,26,27)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041052
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-butyric...)
Show SMILES CCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-3-13(15(18)19)16-14(17)12(9-20)10(2)11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041064
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FNO4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11H2,1H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041052
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-butyric...)
Show SMILES CCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-3-13(15(18)19)16-14(17)12(9-20)10(2)11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041064
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FNO4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11H2,1H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041061
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-hexanoi...)
Show SMILES CCCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-3-4-10-15(17(20)21)18-16(19)14(11-22)12(2)13-8-6-5-7-9-13/h5-9,12,14-15,22H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041068
PNG
(3-(4-Hydroxy-phenyl)-2-[3-(4-hydroxy-phenyl)-2-mer...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C20H23NO5S/c1-12(14-4-8-16(23)9-5-14)17(11-27)19(24)21-18(20(25)26)10-13-2-6-15(22)7-3-13/h2-9,12,17-18,22-23,27H,10-11H2,1H3,(H,21,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041068
PNG
(3-(4-Hydroxy-phenyl)-2-[3-(4-hydroxy-phenyl)-2-mer...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C20H23NO5S/c1-12(14-4-8-16(23)9-5-14)17(11-27)19(24)21-18(20(25)26)10-13-2-6-15(22)7-3-13/h2-9,12,17-18,22-23,27H,10-11H2,1H3,(H,21,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041058
PNG
(2-(3-Benzo[1,3]dioxol-5-yl-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C15H19NO5S/c1-8(10-3-4-12-13(5-10)21-7-20-12)11(6-22)14(17)16-9(2)15(18)19/h3-5,8-9,11,22H,6-7H2,1-2H3,(H,16,17)(H,18,19)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041067
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041050
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-o-tolyl...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H25NO4S/c1-13-5-3-4-6-17(13)14(2)18(12-27)20(24)22-19(21(25)26)11-15-7-9-16(23)10-8-15/h3-10,14,18-19,23,27H,11-12H2,1-2H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041055
PNG
(2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamin...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C20H24N2O4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11,21H2,1H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041051
PNG
(2-[3-(4-Hydroxy-3-methoxy-phenyl)-2-mercaptomethyl...)
Show SMILES COc1cc(ccc1O)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-12(14-5-8-18(24)19(10-14)28-2)16(11-29)20(25)22-17(21(26)27)9-13-3-6-15(23)7-4-13/h3-8,10,12,16-17,23-24,29H,9,11H2,1-2H3,(H,22,25)(H,26,27)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041065
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-3-methy...)
Show SMILES CC(C)C(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-10(2)14(16(19)20)17-15(18)13(9-21)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,21H,9H2,1-3H3,(H,17,18)(H,19,20)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041060
PNG
(2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyr...)
Show SMILES COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO6S/c1-13(15-6-9-19(28-2)20(11-15)29-3)17(12-30)21(25)23-18(22(26)27)10-14-4-7-16(24)8-5-14/h4-9,11,13,17-18,24,30H,10,12H2,1-3H3,(H,23,25)(H,26,27)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041055
PNG
(2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamin...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C20H24N2O4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11,21H2,1H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041059
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-4-methy...)
Show SMILES CC(C)CC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(17(20)21)18-16(19)14(10-22)12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041069
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H21NO4S/c21-16-8-6-14(7-9-16)11-17(19(23)24)20-18(22)15(12-25)10-13-4-2-1-3-5-13/h1-9,15,17,21,25H,10-12H2,(H,20,22)(H,23,24)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041071
PNG
((2-Mercaptomethyl-3-phenyl-butyrylamino)-acetic ac...)
Show SMILES CC(C(CS)C(=O)NCC(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(10-5-3-2-4-6-10)11(8-18)13(17)14-7-12(15)16/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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n/an/a 32n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041066
PNG
(3-Benzyloxy-2-(2-mercaptomethyl-3-phenyl-butyrylam...)
Show SMILES CC(C(CS)C(=O)NC(COCc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-15(17-10-6-3-7-11-17)18(14-27)20(23)22-19(21(24)25)13-26-12-16-8-4-2-5-9-16/h2-11,15,18-19,27H,12-14H2,1H3,(H,22,23)(H,24,25)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
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