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32 similar compounds to monomer 50048514

Compile data set for download or QSAR
Wt: 318.3
BDBM50405267		Wt: 333.3
BDBM50038065		Wt: 426.5
BDBM50050125		Wt: 364.4
BDBM50050136		Wt: 378.4
BDBM50050144
Wt: 392.5
BDBM50050146		Wt: 404.5
BDBM50050150		Wt: 350.4
BDBM50050151		Wt: 406.5
BDBM50050155		Wt: 350.4
BDBM50050158
Wt: 390.4
BDBM50048500		Wt: 392.5
BDBM50048502		Wt: 392.5
BDBM50048503		Wt: 406.5
BDBM50048505		Wt: 364.4
BDBM50048506
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50405267,50038065,50050125,50050136,50050144,50050146,50050150,50050151,50050155,50050158,50048500,50048502,50048503,50048505,50048506   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048506
PNG
(CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...)
Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))		BDBM50405267
PNG
(CHEMBL2370859)
Show SMILES C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H22N2O4/c1-12(16(21)19-11-5-8-14(19)17(22)23)18-15(20)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,20)(H,22,23)/t12-,14-/m0/s1
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n/an/a 3.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme

J Med Chem 28: 434-42 (1985)


Article DOI: 10.1021/jm00382a008
BindingDB Entry DOI: 10.7270/Q2RV0PVJ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048500
PNG
((4S,7S,10aS)-7-((S)-2-Mercapto-3-phenyl-propionyla...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C20H26N2O4S/c23-18(17(27)12-13-6-2-1-3-7-13)21-15-10-4-8-14-9-5-11-16(20(25)26)22(14)19(15)24/h1-3,6-7,14-17,27H,4-5,8-12H2,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048502
PNG
(CHEMBL343191 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...)
Show SMILES CCC[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,24)/t15-,16+,17+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048505
PNG
((S)-2-[(3S,7S)-3-((S)-2-Mercapto-3-phenyl-propiony...)
Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-3-8-16-11-7-12-17(20(25)23(16)14(2)21(26)27)22-19(24)18(28)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-18,28H,3,7-8,11-13H2,1-2H3,(H,22,24)(H,26,27)/t14-,16-,17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048500
PNG
((4S,7S,10aS)-7-((S)-2-Mercapto-3-phenyl-propionyla...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C20H26N2O4S/c23-18(17(27)12-13-6-2-1-3-7-13)21-15-10-4-8-14-9-5-11-16(20(25)26)22(14)19(15)24/h1-3,6-7,14-17,27H,4-5,8-12H2,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ACE (Angiotensin I converting enzyme) isolated from rabbit lung extract

J Med Chem 40: 1570-7 (1997)


Article DOI: 10.1021/jm970041e
BindingDB Entry DOI: 10.7270/Q24J0G96
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050125
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES OC(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O4S/c26-21(20(30)15-17-10-5-2-6-11-17)24-18(14-16-8-3-1-4-9-16)22(27)25-13-7-12-19(25)23(28)29/h1-6,8-11,18-20,30H,7,12-15H2,(H,24,26)(H,28,29)/t18-,19?,20-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050144
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C19H26N2O4S/c1-12(2)16(18(23)21-10-6-9-14(21)19(24)25)20-17(22)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16,26H,6,9-11H2,1-2H3,(H,20,22)(H,24,25)/t14?,15-,16-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050136
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-10-6-5-9-14(20)18(23)24)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050146
PNG
(1-[(2S,3R)-2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-3-13(2)17(19(24)22-11-7-10-15(22)20(25)26)21-18(23)16(27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,27H,3,7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t13-,15?,16+,17+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050158
PNG
(1-[(S)-2-((R)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050150
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C(CC2CCCCC12)C(O)=O
Show InChI InChI=1S/C21H28N2O4S/c1-13(22-19(24)18(28)11-14-7-3-2-4-8-14)20(25)23-16-10-6-5-9-15(16)12-17(23)21(26)27/h2-4,7-8,13,15-18,28H,5-6,9-12H2,1H3,(H,22,24)(H,26,27)/t13-,15?,16?,17?,18-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050155
PNG
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-butyrylamino...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)C(C)c1ccccc1)C(=O)N1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-13(2)17(20(25)23-12-8-7-11-16(23)21(26)27)22-19(24)18(28)14(3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16-18,28H,7-8,11-12H2,1-3H3,(H,22,24)(H,26,27)/t14?,16-,17-,18-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50050151
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))		BDBM50038065
PNG
((R)-1-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C17H23N3O4/c1-11(16(22)20-9-5-8-14(20)17(23)24)19-15(21)13(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14+/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Proteus Molecular Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition against ACE.

J Med Chem 37: 3994-4002 (1994)


Article DOI: 10.1021/jm00049a019
BindingDB Entry DOI: 10.7270/Q2XW4HWB
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048502
PNG
(CHEMBL343191 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...)
Show SMILES CCC[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,24)/t15-,16+,17+/m1/s1
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n/an/a 466n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of purified rat kidney Neutral endopeptidase.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048500
PNG
((4S,7S,10aS)-7-((S)-2-Mercapto-3-phenyl-propionyla...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C20H26N2O4S/c23-18(17(27)12-13-6-2-1-3-7-13)21-15-10-4-8-14-9-5-11-16(20(25)26)22(14)19(15)24/h1-3,6-7,14-17,27H,4-5,8-12H2,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of purified rat kidney Neutral endopeptidase.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048505
PNG
((S)-2-[(3S,7S)-3-((S)-2-Mercapto-3-phenyl-propiony...)
Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-3-8-16-11-7-12-17(20(25)23(16)14(2)21(26)27)22-19(24)18(28)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-18,28H,3,7-8,11-13H2,1-2H3,(H,22,24)(H,26,27)/t14-,16-,17-,18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of purified rat kidney Neutral endopeptidase.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048506
PNG
(CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...)
Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of purified rat kidney Neutral endopeptidase.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048503
PNG
((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES CC(C)[C@H](N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-13(2)17(20(25)26)22-11-7-6-10-15(19(22)24)21-18(23)16(27)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17,27H,6-7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t15-,16-,17-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of purified rat kidney Neutral endopeptidase.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048506
PNG
(CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...)
Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...

J Med Chem 42: 305-11 (1999)


Article DOI: 10.1021/jm980542f
BindingDB Entry DOI: 10.7270/Q2DV1J2V
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048506
PNG
(CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...)
Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...

J Med Chem 42: 305-11 (1999)


Article DOI: 10.1021/jm980542f
BindingDB Entry DOI: 10.7270/Q2DV1J2V
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050136
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-10-6-5-9-14(20)18(23)24)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050150
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C(CC2CCCCC12)C(O)=O
Show InChI InChI=1S/C21H28N2O4S/c1-13(22-19(24)18(28)11-14-7-3-2-4-8-14)20(25)23-16-10-6-5-9-15(16)12-17(23)21(26)27/h2-4,7-8,13,15-18,28H,5-6,9-12H2,1H3,(H,22,24)(H,26,27)/t13-,15?,16?,17?,18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050146
PNG
(1-[(2S,3R)-2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-3-13(2)17(19(24)22-11-7-10-15(22)20(25)26)21-18(23)16(27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,27H,3,7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t13-,15?,16+,17+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050144
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C19H26N2O4S/c1-12(2)16(18(23)21-10-6-9-14(21)19(24)25)20-17(22)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16,26H,6,9-11H2,1-2H3,(H,20,22)(H,24,25)/t14?,15-,16-/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050151
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050155
PNG
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-butyrylamino...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)C(C)c1ccccc1)C(=O)N1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-13(2)17(20(25)23-12-8-7-11-16(23)21(26)27)22-19(24)18(28)14(3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16-18,28H,7-8,11-12H2,1-3H3,(H,22,24)(H,26,27)/t14?,16-,17-,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050158
PNG
(1-[(S)-2-((R)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES C[C@H](NC(=O)[C@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50050125
PNG
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)
Show SMILES OC(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O4S/c26-21(20(30)15-17-10-5-2-6-11-17)24-18(14-16-8-3-1-4-9-16)22(27)25-13-7-12-19(25)23(28)29/h1-6,8-11,18-20,30H,7,12-15H2,(H,24,26)(H,28,29)/t18-,19?,20-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))		BDBM50048500
PNG
((4S,7S,10aS)-7-((S)-2-Mercapto-3-phenyl-propionyla...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C20H26N2O4S/c23-18(17(27)12-13-6-2-1-3-7-13)21-15-10-4-8-14-9-5-11-16(20(25)26)22(14)19(15)24/h1-3,6-7,14-17,27H,4-5,8-12H2,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase purified from rat kidney using fluorimetry assay

J Med Chem 40: 1570-7 (1997)


Article DOI: 10.1021/jm970041e
BindingDB Entry DOI: 10.7270/Q24J0G96
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50048503
PNG
((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES CC(C)[C@H](N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-13(2)17(20(25)26)22-11-7-6-10-15(19(22)24)21-18(23)16(27)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17,27H,6-7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t15-,16-,17-/m0/s1
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n/an/a 907n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.

J Med Chem 39: 494-502 (1996)


Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1
More data for this
Ligand-Target Pair