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PubMed code 8558518

Compile data set for download or QSAR
Found 38 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


(Oryctolagus cuniculus)
BDBM50048509
PNG
((3S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S/c22-17(16(26)11-12-5-2-1-3-6-12)20-14-8-4-7-13-9-10-15(19(24)25)21(13)18(14)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/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)
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048512
PNG
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1
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n/an/a 6n/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)
BDBM50048504
PNG
(CHEMBL148155 | [(3S,7R)-7-Allyl-3-((S)-2-mercapto-...)
Show SMILES OC(=O)CN1[C@@H](CC=C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H26N2O4S/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/h2-5,8-9,15-17,27H,1,6-7,10-13H2,(H,21,25)(H,23,24)/t15-,16-,17-/m0/s1
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n/an/a 7n/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)
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


(Oryctolagus cuniculus)
BDBM50048515
PNG
(CHEMBL345021 | [(3S,7R)-7-Isobutyl-3-((S)-2-mercap...)
Show SMILES CC(C)C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-14(2)11-16-9-6-10-17(21(27)23(16)13-19(24)25)22-20(26)18(28)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,28H,6,9-13H2,1-2H3,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1
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n/an/a 10n/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)
BDBM50048513
PNG
(CHEMBL147043 | [(3S,7S)-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-/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)
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)
BDBM50048512
PNG
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1
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n/an/a 12n/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)
BDBM50048517
PNG
(CHEMBL318096 | [(3S,7R)-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+/m1/s1
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n/an/a 16n/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
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048508
PNG
(CHEMBL147153 | [(3S,7R)-7-Cyclopentyl-3-((S)-2-mer...)
Show SMILES OC(=O)CN1[C@H](CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C1CCCC1
Show InChI InChI=1S/C22H30N2O4S/c25-20(26)14-24-18(16-9-4-5-10-16)12-6-11-17(22(24)28)23-21(27)19(29)13-15-7-2-1-3-8-15/h1-3,7-8,16-19,29H,4-6,9-14H2,(H,23,27)(H,25,26)/t17-,18+,19-/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 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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048509
PNG
((3S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S/c22-17(16(26)11-12-5-2-1-3-6-12)20-14-8-4-7-13-9-10-15(19(24)25)21(13)18(14)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
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n/an/a 18n/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)
BDBM50048507
PNG
(CHEMBL299169 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1
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n/an/a 22n/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)
BDBM50048501
PNG
(CHEMBL146823 | [(3S,7R)-7-Cyclopropylmethyl-3-((S)...)
Show SMILES OC(=O)CN1[C@@H](CC2CC2)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H28N2O4S/c24-19(25)13-23-16(11-15-9-10-15)7-4-8-17(21(23)27)22-20(26)18(28)12-14-5-2-1-3-6-14/h1-3,5-6,15-18,28H,4,7-13H2,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1
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n/an/a 23n/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
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048516
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](CC)C(O)=O
Show InChI InChI=1S/C22H32N2O4S/c1-3-9-16-12-8-13-17(21(26)24(16)18(4-2)22(27)28)23-20(25)19(29)14-15-10-6-5-7-11-15/h5-7,10-11,16-19,29H,3-4,8-9,12-14H2,1-2H3,(H,23,25)(H,27,28)/t16-,17-,18-,19-/m0/s1
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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)
BDBM50048511
PNG
(CHEMBL146371 | [(3S,7R)-7-(2-Hydroxy-ethyl)-3-((S)...)
Show SMILES OCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H26N2O5S/c22-10-9-14-7-4-8-15(19(26)21(14)12-17(23)24)20-18(25)16(27)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,22,27H,4,7-12H2,(H,20,25)(H,23,24)/t14-,15+,16+/m1/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 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)
BDBM50048510
PNG
((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES C[C@H](N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(18(23)24)20-10-6-5-9-14(17(20)22)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 26n/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)
BDBM50048514
PNG
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCC[C@H]1C(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 30n/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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048511
PNG
(CHEMBL146371 | [(3S,7R)-7-(2-Hydroxy-ethyl)-3-((S)...)
Show SMILES OCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H26N2O5S/c22-10-9-14-7-4-8-15(19(26)21(14)12-17(23)24)20-18(25)16(27)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,22,27H,4,7-12H2,(H,20,25)(H,23,24)/t14-,15+,16+/m1/s1
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n/an/a 31n/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))
BDBM50048518
PNG
((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H28N2O4S/c27-22(21(31)16-18-11-5-2-6-12-18)25-19-13-7-8-14-26(23(19)28)20(24(29)30)15-17-9-3-1-4-10-17/h1-6,9-12,19-21,31H,7-8,13-16H2,(H,25,27)(H,29,30)/t19-,20-,21-/m0/s1
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n/an/a 32n/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))
BDBM50048513
PNG
(CHEMBL147043 | [(3S,7S)-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-/m0/s1
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n/an/a 40n/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))
BDBM50048504
PNG
(CHEMBL148155 | [(3S,7R)-7-Allyl-3-((S)-2-mercapto-...)
Show SMILES OC(=O)CN1[C@@H](CC=C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H26N2O4S/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/h2-5,8-9,15-17,27H,1,6-7,10-13H2,(H,21,25)(H,23,24)/t15-,16-,17-/m0/s1
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n/an/a 64n/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))
BDBM50048507
PNG
(CHEMBL299169 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1
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n/an/a 82n/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))
BDBM50048516
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](CC)C(O)=O
Show InChI InChI=1S/C22H32N2O4S/c1-3-9-16-12-8-13-17(21(26)24(16)18(4-2)22(27)28)23-20(25)19(29)14-15-10-6-5-7-11-15/h5-7,10-11,16-19,29H,3-4,8-9,12-14H2,1-2H3,(H,23,25)(H,27,28)/t16-,17-,18-,19-/m0/s1
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n/an/a 86n/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))
BDBM50048510
PNG
((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES C[C@H](N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(18(23)24)20-10-6-5-9-14(17(20)22)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 92n/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))
BDBM50048501
PNG
(CHEMBL146823 | [(3S,7R)-7-Cyclopropylmethyl-3-((S)...)
Show SMILES OC(=O)CN1[C@@H](CC2CC2)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H28N2O4S/c24-19(25)13-23-16(11-15-9-10-15)7-4-8-17(21(23)27)22-20(26)18(28)12-14-5-2-1-3-6-14/h1-3,5-6,15-18,28H,4,7-13H2,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1
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n/an/a 140n/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))
BDBM50048517
PNG
(CHEMBL318096 | [(3S,7R)-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+/m1/s1
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n/an/a 149n/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))
BDBM50048514
PNG
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCC[C@H]1C(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 400n/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))
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048518
PNG
((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H28N2O4S/c27-22(21(31)16-18-11-5-2-6-12-18)25-19-13-7-8-14-26(23(19)28)20(24(29)30)15-17-9-3-1-4-10-17/h1-6,9-12,19-21,31H,7-8,13-16H2,(H,25,27)(H,29,30)/t19-,20-,21-/m0/s1
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n/an/a 479n/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)
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
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048508
PNG
(CHEMBL147153 | [(3S,7R)-7-Cyclopentyl-3-((S)-2-mer...)
Show SMILES OC(=O)CN1[C@H](CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C1CCCC1
Show InChI InChI=1S/C22H30N2O4S/c25-20(26)14-24-18(16-9-4-5-10-16)12-6-11-17(22(24)28)23-21(27)19(29)13-15-7-2-1-3-8-15/h1-3,7-8,16-19,29H,4-6,9-14H2,(H,23,27)(H,25,26)/t17-,18+,19-/m0/s1
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Article
PubMed
n/an/a 1.65E+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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048515
PNG
(CHEMBL345021 | [(3S,7R)-7-Isobutyl-3-((S)-2-mercap...)
Show SMILES CC(C)C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-14(2)11-16-9-6-10-17(21(27)23(16)13-19(24)25)22-20(26)18(28)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,28H,6,9-13H2,1-2H3,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+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
* indicates data uncertainty>20%