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PubMed code 8021926

Compile data set for download or QSAR
Found 41 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
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50084679
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17?,18-,19-/m0/s1
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11n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50422014
PNG
(CHEMBL319299)
Show SMILES CC(C)C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22?,23-,24-/m0/s1
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50n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against Thermolysin


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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1.80E+9n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding against Thermolysin


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038623
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 3.60n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50034866
PNG
(2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-phenyl-pen...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038615
PNG
(2-(2-Benzyl-3-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)C(S)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(14-17-10-6-3-7-11-17)19(26)13-12-16-8-4-2-5-9-16/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)
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n/an/a 44n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038628
PNG
(2-(2-Benzyl-4-mercapto-4-phenyl-butyrylamino)-prop...)
Show SMILES CC(NC(=O)C(CC(S)c1ccccc1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23NO3S/c1-14(20(23)24)21-19(22)17(12-15-8-4-2-5-9-15)13-18(25)16-10-6-3-7-11-16/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)
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n/an/a 130n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038631
PNG
(2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-3-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C27H29NO4S/c29-23-13-11-21(12-14-23)17-25(27(31)32)28-26(30)22(15-19-7-3-1-4-8-19)18-24(33)16-20-9-5-2-6-10-20/h1-14,22,24-25,29,33H,15-18H2,(H,28,30)(H,31,32)
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n/an/a 150n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038621
PNG
(2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES CC(NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(12-16-8-4-2-5-9-16)14-19(26)13-17-10-6-3-7-11-17/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)
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n/an/a 190n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038630
PNG
(2-(2-sec-Butyl-4-mercapto-5-phenyl-pentanoylamino)...)
Show SMILES CCC(C)C(CC(S)Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)21(15-20(30)13-17-7-5-4-6-8-17)23(27)25-22(24(28)29)14-18-9-11-19(26)12-10-18/h4-12,16,20-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 220n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038626
PNG
(5-Benzyl-3-sec-butyl-dihydro-thiophen-2-one | CHEM...)
Show SMILES CCC(C)C1CC(Cc2ccccc2)SC1=O
Show InChI InChI=1S/C15H20OS/c1-3-11(2)14-10-13(17-15(14)16)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038617
PNG
(2-sec-Butyl-4-mercapto-5-phenyl-pentanoic acid | C...)
Show SMILES CCC(C)C(CC(S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H22O2S/c1-3-11(2)14(15(16)17)10-13(18)9-12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,16,17)
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038619
PNG
(2-(2-sec-Butyl-4-mercapto-6-phenyl-hexanoylamino)-...)
Show SMILES CCC(C)C(CC(S)CCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H33NO4S/c1-3-17(2)22(16-21(31)14-11-18-7-5-4-6-8-18)24(28)26-23(25(29)30)15-19-9-12-20(27)13-10-19/h4-10,12-13,17,21-23,27,31H,3,11,14-16H2,1-2H3,(H,26,28)(H,29,30)
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038622
PNG
((S)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino...)
Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)23(27)25-21(24(28)29)14-18-9-11-20(26)12-10-18/h4-12,16,19,21-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)/t16?,19?,21-,22?/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038624
PNG
(3-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES OC(=O)CCNC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H25NO3S/c23-20(24)11-12-22-21(25)18(13-16-7-3-1-4-8-16)15-19(26)14-17-9-5-2-6-10-17/h1-10,18-19,26H,11-15H2,(H,22,25)(H,23,24)
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038620
PNG
((R)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino...)
Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)23(27)25-21(24(28)29)14-18-9-11-20(26)12-10-18/h4-12,16,19,21-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)/t16?,19?,21-,22?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038616
PNG
(1-(2-Benzyl-4-mercapto-5-phenyl-pentanoyl)-pyrroli...)
Show SMILES OC(=O)C1CCCN1C(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H27NO3S/c25-22(24-13-7-12-21(24)23(26)27)19(14-17-8-3-1-4-9-17)16-20(28)15-18-10-5-2-6-11-18/h1-6,8-11,19-21,28H,7,12-16H2,(H,26,27)
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038627
PNG
(2-Benzyl-4-mercapto-5-methyl-heptanoic acid [1-car...)
Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C24H32N2O3S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)24(29)26-21(23(25)28)14-18-9-11-20(27)12-10-18/h4-12,16,19,21-22,27,30H,3,13-15H2,1-2H3,(H2,25,28)(H,26,29)
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INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038625
PNG
(1-(2-sec-Butyl-4-mercapto-5-phenyl-pentanoyl)-pyrr...)
Show SMILES CCC(C)C(CC(S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C20H29NO3S/c1-3-14(2)17(13-16(25)12-15-8-5-4-6-9-15)19(22)21-11-7-10-18(21)20(23)24/h4-6,8-9,14,16-18,25H,3,7,10-13H2,1-2H3,(H,23,24)
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n/an/a 350n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038614
PNG
(2-sec-Butyl-4-mercapto-5-methyl-heptanoic acid [1-...)
Show SMILES CCC(C)C(S)CC(C(C)CC)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C21H34N2O3S/c1-5-13(3)17(12-19(27)14(4)6-2)21(26)23-18(20(22)25)11-15-7-9-16(24)10-8-15/h7-10,13-14,17-19,24,27H,5-6,11-12H2,1-4H3,(H2,22,25)(H,23,26)
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n/an/a 360n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038613
PNG
(2-(2-sec-Butyl-4-mercapto-5-methyl-heptanoylamino)...)
Show SMILES CCC(C)C(S)CC(C(C)CC)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H33NO4S/c1-5-13(3)17(12-19(27)14(4)6-2)20(24)22-18(21(25)26)11-15-7-9-16(23)10-8-15/h7-10,13-14,17-19,23,27H,5-6,11-12H2,1-4H3,(H,22,24)(H,25,26)
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n/an/a 380n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038630
PNG
(2-(2-sec-Butyl-4-mercapto-5-phenyl-pentanoylamino)...)
Show SMILES CCC(C)C(CC(S)Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)21(15-20(30)13-17-7-5-4-6-8-17)23(27)25-22(24(28)29)14-18-9-11-19(26)12-10-18/h4-12,16,20-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 800n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against Thermolysin


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038626
PNG
(5-Benzyl-3-sec-butyl-dihydro-thiophen-2-one | CHEM...)
Show SMILES CCC(C)C1CC(Cc2ccccc2)SC1=O
Show InChI InChI=1S/C15H20OS/c1-3-11(2)14-10-13(17-15(14)16)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038631
PNG
(2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-3-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C27H29NO4S/c29-23-13-11-21(12-14-23)17-25(27(31)32)28-26(30)22(15-19-7-3-1-4-8-19)18-24(33)16-20-9-5-2-6-10-20/h1-14,22,24-25,29,33H,15-18H2,(H,28,30)(H,31,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038625
PNG
(1-(2-sec-Butyl-4-mercapto-5-phenyl-pentanoyl)-pyrr...)
Show SMILES CCC(C)C(CC(S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C20H29NO3S/c1-3-14(2)17(13-16(25)12-15-8-5-4-6-9-15)19(22)21-11-7-10-18(21)20(23)24/h4-6,8-9,14,16-18,25H,3,7,10-13H2,1-2H3,(H,23,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038619
PNG
(2-(2-sec-Butyl-4-mercapto-6-phenyl-hexanoylamino)-...)
Show SMILES CCC(C)C(CC(S)CCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H33NO4S/c1-3-17(2)22(16-21(31)14-11-18-7-5-4-6-8-18)24(28)26-23(25(29)30)15-19-9-12-20(27)13-10-19/h4-10,12-13,17,21-23,27,31H,3,11,14-16H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038613
PNG
(2-(2-sec-Butyl-4-mercapto-5-methyl-heptanoylamino)...)
Show SMILES CCC(C)C(S)CC(C(C)CC)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H33NO4S/c1-5-13(3)17(12-19(27)14(4)6-2)20(24)22-18(21(25)26)11-15-7-9-16(23)10-8-15/h7-10,13-14,17-19,23,27H,5-6,11-12H2,1-4H3,(H,22,24)(H,25,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038627
PNG
(2-Benzyl-4-mercapto-5-methyl-heptanoic acid [1-car...)
Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C24H32N2O3S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)24(29)26-21(23(25)28)14-18-9-11-20(27)12-10-18/h4-12,16,19,21-22,27,30H,3,13-15H2,1-2H3,(H2,25,28)(H,26,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038628
PNG
(2-(2-Benzyl-4-mercapto-4-phenyl-butyrylamino)-prop...)
Show SMILES CC(NC(=O)C(CC(S)c1ccccc1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23NO3S/c1-14(20(23)24)21-19(22)17(12-15-8-4-2-5-9-15)13-18(25)16-10-6-3-7-11-16/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038624
PNG
(3-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES OC(=O)CCNC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H25NO3S/c23-20(24)11-12-22-21(25)18(13-16-7-3-1-4-8-16)15-19(26)14-17-9-5-2-6-10-17/h1-10,18-19,26H,11-15H2,(H,22,25)(H,23,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038616
PNG
(1-(2-Benzyl-4-mercapto-5-phenyl-pentanoyl)-pyrroli...)
Show SMILES OC(=O)C1CCCN1C(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H27NO3S/c25-22(24-13-7-12-21(24)23(26)27)19(14-17-8-3-1-4-9-17)16-20(28)15-18-10-5-2-6-11-18/h1-6,8-11,19-21,28H,7,12-16H2,(H,26,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038621
PNG
(2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES CC(NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(12-16-8-4-2-5-9-16)14-19(26)13-17-10-6-3-7-11-17/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)
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n/an/a 3.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I converting enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038615
PNG
(2-(2-Benzyl-3-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)C(S)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(14-17-10-6-3-7-11-17)19(26)13-12-16-8-4-2-5-9-16/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038617
PNG
(2-sec-Butyl-4-mercapto-5-phenyl-pentanoic acid | C...)
Show SMILES CCC(C)C(CC(S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H22O2S/c1-3-11(2)14(15(16)17)10-13(18)9-12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,16,17)
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n/an/a 4.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038614
PNG
(2-sec-Butyl-4-mercapto-5-methyl-heptanoic acid [1-...)
Show SMILES CCC(C)C(S)CC(C(C)CC)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C21H34N2O3S/c1-5-13(3)17(12-19(27)14(4)6-2)21(26)23-18(20(22)25)11-15-7-9-16(24)10-8-15/h7-10,13-14,17-19,24,27H,5-6,11-12H2,1-4H3,(H2,22,25)(H,23,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50038623
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against Thermolysin


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038622
PNG
((S)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino...)
Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)23(27)25-21(24(28)29)14-18-9-11-20(26)12-10-18/h4-12,16,19,21-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)/t16?,19?,21-,22?/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038620
PNG
((R)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino...)
Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)23(27)25-21(24(28)29)14-18-9-11-20(26)12-10-18/h4-12,16,19,21-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)/t16?,19?,21-,22?/m1/s1
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against Angiotensin I Converting Enzyme


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%