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PubMed code 9171867

Compile data set for download or QSAR
Found 16 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)
BDBM50408138
PNG
(CHEMBL41753)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)10-11-4-2-1-3-5-11)19-12-8-9-26-15-7-6-13(18(23)24)20(15)17(12)22/h1-5,12-15,25H,6-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a 4n/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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50408138
PNG
(CHEMBL41753)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)10-11-4-2-1-3-5-11)19-12-8-9-26-15-7-6-13(18(23)24)20(15)17(12)22/h1-5,12-15,25H,6-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a 4n/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)
BDBM50073120
PNG
((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)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 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
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 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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50408139
PNG
(CHEMBL39774)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)9-11-5-2-1-3-6-11)19-12-10-26-15-8-4-7-13(18(23)24)20(15)17(12)22/h1-3,5-6,12-15,25H,4,7-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/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 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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50408137
PNG
(CHEMBL289534)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2OCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O5S/c21-16(14(26)10-11-4-2-1-3-5-11)19-12-8-9-25-15-7-6-13(18(23)24)20(15)17(12)22/h1-5,12-15,26H,6-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/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 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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50073120
PNG
((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)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 8n/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)
BDBM50408140
PNG
(CHEMBL290754)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2OCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O5S/c22-17(15(27)11-12-5-2-1-3-6-12)20-13-9-10-26-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,27H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/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 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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50408140
PNG
(CHEMBL290754)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2OCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O5S/c22-17(15(27)11-12-5-2-1-3-6-12)20-13-9-10-26-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,27H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
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n/an/a 9n/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)
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
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 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
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50408137
PNG
(CHEMBL289534)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2OCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O5S/c21-16(14(26)10-11-4-2-1-3-5-11)19-12-8-9-25-15-7-6-13(18(23)24)20(15)17(12)22/h1-5,12-15,26H,6-10H2,(H,19,21)(H,23,24)/t12-,13-,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 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)
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 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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50408139
PNG
(CHEMBL39774)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)9-11-5-2-1-3-6-11)19-12-10-26-15-8-4-7-13(18(23)24)20(15)17(12)22/h1-3,5-6,12-15,25H,4,7-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a 42n/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
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 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
* indicates data uncertainty>20%