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Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'asaad' and Initial = 'mm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM50403254
PNG
(CHEMBL51389)
Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)11-23-17-8-4-5-9-18(17)28-12-16(21(23)27)22-20(26)15(13-29)10-14-6-2-1-3-7-14/h1-9,15-16,29H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403291
PNG
(CHEMBL69836)
Show SMILES OC(=O)CN1C[C@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O4S2/c26-21(27)13-25-12-20(17-9-5-2-6-10-17)31-15-19(23(25)29)24-22(28)18(14-30)11-16-7-3-1-4-8-16/h1-10,18-20,30H,11-15H2,(H,24,28)(H,26,27)/t18-,19+,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403250
PNG
(CHEMBL51780)
Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403250
PNG
(CHEMBL51780)
Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403253
PNG
(CHEMBL301751)
Show SMILES OC(=O)CCN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)10-11-23-16-8-4-5-9-17(16)28-13-15(21(23)27)22-20(26)18(29)12-14-6-2-1-3-7-14/h1-9,15,18,29H,10-13H2,(H,22,26)(H,24,25)/t15-,18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50085454
PNG
(CHEMBL90388 | N-formyl hydroxylamine containing di...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C23H25N3O6/c27-15-25(32)13-18(12-16-6-2-1-3-7-16)22(30)24-19-11-10-17-8-4-5-9-20(17)26(23(19)31)14-21(28)29/h1-9,15,18-19,32H,10-14H2,(H,24,30)(H,28,29)/t18-,19+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282859
PNG
((2S,4S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-pr...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C24H28N2O4S2/c1-16(25-22(27)18(15-31)12-17-8-4-2-5-9-17)23(28)26-14-20(13-21(26)24(29)30)32-19-10-6-3-7-11-19/h2-11,16,18,20-21,31H,12-15H2,1H3,(H,25,27)(H,29,30)/t16-,18+,20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403257
PNG
(CHEMBL51438)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H26N2O4S/c26-21(27)12-13-25-20-9-5-4-8-17(20)10-11-19(23(25)29)24-22(28)18(15-30)14-16-6-2-1-3-7-16/h1-9,18-19,30H,10-15H2,(H,24,28)(H,26,27)/t18-,19+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50085460
PNG
((4S,7S,12bR)-7-[(R)-2-Benzyl-3-(formyl-hydroxy-ami...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(O)=O)C=O
Show InChI InChI=1S/C26H29N3O6/c30-16-28(35)15-19(13-17-7-2-1-3-8-17)24(31)27-21-14-18-9-4-5-10-20(18)22-11-6-12-23(26(33)34)29(22)25(21)32/h1-5,7-10,16,19,21-23,35H,6,11-15H2,(H,27,31)(H,33,34)/t19-,21+,22-,23+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282855
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES CCC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-2-7-16(19(24)22-11-6-10-17(22)20(25)26)21-18(23)15(13-27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,23)(H,25,26)/t15-,16+,17+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403261
PNG
(CHEMBL51498)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H24N2O4S/c25-20(26)13-24-19-9-5-4-8-16(19)10-11-18(22(24)28)23-21(27)17(14-29)12-15-6-2-1-3-7-15/h1-9,17-18,29H,10-14H2,(H,23,27)(H,25,26)/t17-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403251
PNG
(CHEMBL299441)
Show SMILES OC(=O)CCN1c2ccccc2SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)10-11-23-16-8-4-5-9-18(16)29-13-15(21(23)27)22-20(26)17(28)12-14-6-2-1-3-7-14/h1-9,15,17,28H,10-13H2,(H,22,26)(H,24,25)/t15-,17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282848
PNG
(1-{2-[(S)-3-(2-Chloro-phenyl)-2-mercaptomethyl-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1Cl)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C18H23ClN2O4S/c1-11(17(23)21-8-4-7-15(21)18(24)25)20-16(22)13(10-26)9-12-5-2-3-6-14(12)19/h2-3,5-6,11,13,15,26H,4,7-10H2,1H3,(H,20,22)(H,24,25)/t11-,13+,15+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403258
PNG
(CHEMBL301364)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H24N2O4S/c25-20(26)12-13-24-18-9-5-4-8-16(18)10-11-17(22(24)28)23-21(27)19(29)14-15-6-2-1-3-7-15/h1-9,17,19,29H,10-14H2,(H,23,27)(H,25,26)/t17-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403294
PNG
(CHEMBL305020)
Show SMILES OC(=O)CN1CCSC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C17H22N2O4S2/c20-15(21)9-19-6-7-25-11-14(17(19)23)18-16(22)13(10-24)8-12-4-2-1-3-5-12/h1-5,13-14,24H,6-11H2,(H,18,22)(H,20,21)/t13-,14+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403299
PNG
(CHEMBL305050)
Show SMILES OC(=O)CN1[C@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S2/c25-19(26)12-24-21(28)18(14-30-22(24)16-9-5-2-6-10-16)23-20(27)17(13-29)11-15-7-3-1-4-8-15/h1-10,17-18,22,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18+,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282845
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C22H24N2O4S/c1-14(23-20(25)17(13-29)11-15-7-3-2-4-8-15)21(26)24-18-10-6-5-9-16(18)12-19(24)22(27)28/h2-10,14,17,19,29H,11-13H2,1H3,(H,23,25)(H,27,28)/t14-,17+,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403298
PNG
(CHEMBL71769)
Show SMILES OC(=O)CN1[C@@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S2/c25-19(26)12-24-21(28)18(14-30-22(24)16-9-5-2-6-10-16)23-20(27)17(13-29)11-15-7-3-1-4-8-15/h1-10,17-18,22,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18+,22+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403280
PNG
(CHEMBL65545)
Show SMILES OC(=O)[C@@H]1CCCN2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H25N3O4S/c23-17(16(27)12-13-6-2-1-3-7-13)20-14-8-4-10-21-11-5-9-15(19(25)26)22(21)18(14)24/h1-3,6-7,14-16,27H,4-5,8-12H2,(H,20,23)(H,25,26)/t14-,15-,16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403252
PNG
(CHEMBL54036)
Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H20N2O5S/c23-18(24)11-22-15-8-4-5-9-16(15)27-12-14(20(22)26)21-19(25)17(28)10-13-6-2-1-3-7-13/h1-9,14,17,28H,10-12H2,(H,21,25)(H,23,24)/t14-,17-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50085460
PNG
((4S,7S,12bR)-7-[(R)-2-Benzyl-3-(formyl-hydroxy-ami...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(O)=O)C=O
Show InChI InChI=1S/C26H29N3O6/c30-16-28(35)15-19(13-17-7-2-1-3-8-17)24(31)27-21-14-18-9-4-5-10-20(18)22-11-6-12-23(26(33)34)29(22)25(21)32/h1-5,7-10,16,19,21-23,35H,6,11-15H2,(H,27,31)(H,33,34)/t19-,21+,22-,23+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282851
PNG
((S)-2-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15(24-21(26)19(14-30)11-16-7-3-2-4-8-16)22(27)25-13-18-10-6-5-9-17(18)12-20(25)23(28)29/h2-10,15,19-20,30H,11-14H2,1H3,(H,24,26)(H,28,29)/t15-,19+,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50282861
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
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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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)
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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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


(Homo sapiens (Human))
BDBM50282861
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403254
PNG
(CHEMBL51389)
Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)11-23-17-8-4-5-9-18(17)28-12-16(21(23)27)22-20(26)15(13-29)10-14-6-2-1-3-7-14/h1-9,15-16,29H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403261
PNG
(CHEMBL51498)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H24N2O4S/c25-20(26)13-24-19-9-5-4-8-16(19)10-11-18(22(24)28)23-21(27)17(14-29)12-15-6-2-1-3-7-15/h1-9,17-18,29H,10-14H2,(H,23,27)(H,25,26)/t17-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
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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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)
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 |r|
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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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
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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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)
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 |r|
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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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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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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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
Neprilysin


(Homo sapiens (Human))
BDBM50403255
PNG
(CHEMBL50559)
Show SMILES C[C@@H]1Oc2ccccc2N(CC(O)=O)C(=O)[C@H]1NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C21H22N2O5S/c1-13-19(22-20(26)17(29)11-14-7-3-2-4-8-14)21(27)23(12-18(24)25)15-9-5-6-10-16(15)28-13/h2-10,13,17,19,29H,11-12H2,1H3,(H,22,26)(H,24,25)/t13-,17-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50085454
PNG
(CHEMBL90388 | N-formyl hydroxylamine containing di...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C23H25N3O6/c27-15-25(32)13-18(12-16-6-2-1-3-7-16)22(30)24-19-11-10-17-8-4-5-9-20(17)26(23(19)31)14-21(28)29/h1-9,15,18-19,32H,10-14H2,(H,24,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50085457
PNG
(CHEMBL89533 | {(S)-6-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](CN(O)C=O)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C21H29N3O6/c1-21(2)10-6-9-17(20(29)24(21)13-18(26)27)22-19(28)16(12-23(30)14-25)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,30H,6,9-13H2,1-2H3,(H,22,28)(H,26,27)/t16-,17+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403268
PNG
(CHEMBL299875)
Show SMILES CCCC[C@H](S)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C18H24N2O4S/c1-2-3-8-15(25)17(23)19-13-10-9-12-6-4-5-7-14(12)20(18(13)24)11-16(21)22/h4-7,13,15,25H,2-3,8-11H2,1H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 4: 1795-1800 (1994)


Article DOI: 10.1016/S0960-894X(01)80373-5
BindingDB Entry DOI: 10.7270/Q2Z60Q76
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024101
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50073118
PNG
(CHEMBL319237 | [(S)-8-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CCCC1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C21H28N2O4S/c24-18(25)14-23-20(27)16(9-6-12-21(23)10-4-5-11-21)22-19(26)17(28)13-15-7-2-1-3-8-15/h1-3,7-8,16-17,28H,4-6,9-14H2,(H,22,26)(H,24,25)/t16-,17-/m0/s1
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n/an/a 6n/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))
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)
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 |r|
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 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403277
PNG
(CHEMBL61566)
Show SMILES CCCN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-2-10-21-11-6-9-15(19(26)22(21)13-17(23)24)20-18(25)16(27)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,27H,2,6,9-13H2,1H3,(H,20,25)(H,23,24)/t15-,16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Neutral Endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1795-1800 (1994)


Article DOI: 10.1016/S0960-894X(01)80373-5
BindingDB Entry DOI: 10.7270/Q2Z60Q76
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282852
PNG
(1-[2-((S)-2-Mercaptomethyl-3-o-tolyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C19H26N2O4S/c1-12-6-3-4-7-14(12)10-15(11-26)17(22)20-13(2)18(23)21-9-5-8-16(21)19(24)25/h3-4,6-7,13,15-16,26H,5,8-11H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403266
PNG
(CHEMBL415932)
Show SMILES CC(C)C[C@H](S)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C18H24N2O4S/c1-11(2)9-15(25)17(23)19-13-8-7-12-5-3-4-6-14(12)20(18(13)24)10-16(21)22/h3-6,11,13,15,25H,7-10H2,1-2H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 4: 1795-1800 (1994)


Article DOI: 10.1016/S0960-894X(01)80373-5
BindingDB Entry DOI: 10.7270/Q2Z60Q76
More data for this
Ligand-Target Pair
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