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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50036385   
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048318
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-14(2)17(28)18(24)23-21(12-6-7-13-21)20(27)22-16(19(25)26)11-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17,28H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t16-,17-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048320
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C18H26N2O4S2/c1-11(2)14(25)15(21)20-18(7-3-4-8-18)17(24)19-13(16(22)23)10-12-6-5-9-26-12/h5-6,9,11,13-14,25H,3-4,7-8,10H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048312
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-12(2)16(28)17(24)22-20(9-3-4-10-20)19(27)21-15(18(25)26)11-13-5-7-14(23)8-6-13/h5-8,12,15-16,23,28H,3-4,9-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048304
PNG
((S)-3-(4-Fluoro-phenyl)-2-{[1-((S)-2-mercapto-3-me...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H27FN2O4S/c1-12(2)16(28)17(24)23-20(9-3-4-10-20)19(27)22-15(18(25)26)11-13-5-7-14(21)8-6-13/h5-8,12,15-16,28H,3-4,9-11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048303
PNG
((S)-3-(5-Hydroxy-1H-indol-3-yl)-2-{[1-((S)-2-merca...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C22H29N3O5S/c1-12(2)18(31)19(27)25-22(7-3-4-8-22)21(30)24-17(20(28)29)9-13-11-23-16-6-5-14(26)10-15(13)16/h5-6,10-12,17-18,23,26,31H,3-4,7-9H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t17-,18-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048314
PNG
((S)-3-(1H-Indol-3-yl)-2-{[1-((S)-2-mercapto-3-meth...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C22H29N3O4S/c1-13(2)18(30)19(26)25-22(9-5-6-10-22)21(29)24-17(20(27)28)11-14-12-23-16-8-4-3-7-15(14)16/h3-4,7-8,12-13,17-18,23,30H,5-6,9-11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048315
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES COc1ccc(C[C@H](NC(=O)C2(CCCC2)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc1
Show InChI InChI=1S/C21H30N2O5S/c1-13(2)17(29)18(24)23-21(10-4-5-11-21)20(27)22-16(19(25)26)12-14-6-8-15(28-3)9-7-14/h6-9,13,16-17,29H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,24)(H,25,26)/t16-,17-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048305
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C18H26N2O4S2/c1-11(2)14(25)15(21)20-18(6-3-4-7-18)17(24)19-13(16(22)23)9-12-5-8-26-10-12/h5,8,10-11,13-14,25H,3-4,6-7,9H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048310
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(8-4-5-9-19)18(26)21-14(17(24)25)11-13-7-3-6-10-20-13/h3,6-7,10,12,14-15,27H,4-5,8-9,11H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048317
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-p...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O5S/c27-18-10-8-17(9-11-18)14-19(22(29)30)25-23(31)24(12-4-5-13-24)26-21(28)20(32)15-16-6-2-1-3-7-16/h1-3,6-11,19-20,27,32H,4-5,12-15H2,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048316
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1cccnc1)C(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(7-3-4-8-19)18(26)21-14(17(24)25)10-13-6-5-9-20-11-13/h5-6,9,11-12,14-15,27H,3-4,7-8,10H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048308
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-10(2)14(26)15(22)20-18(7-8-18)17(25)19-13(16(23)24)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21,26H,7-9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048311
PNG
((S)-3-(4-Hydroxy-phenyl)-2-({1-[(1-mercapto-cyclop...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)C1(S)CCCC1
Show InChI InChI=1S/C21H28N2O5S/c24-15-7-5-14(6-8-15)13-16(17(25)26)22-18(27)20(9-1-2-10-20)23-19(28)21(29)11-3-4-12-21/h5-8,16,24,29H,1-4,9-13H2,(H,22,27)(H,23,28)(H,25,26)/t16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(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)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048322
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[4-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H28N2O6S/c1-12(2)16(29)17(24)22-20(7-9-28-10-8-20)19(27)21-15(18(25)26)11-13-3-5-14(23)6-4-13/h3-6,12,15-16,23,29H,7-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048312
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-12(2)16(28)17(24)22-20(9-3-4-10-20)19(27)21-15(18(25)26)11-13-5-7-14(23)8-6-13/h5-8,12,15-16,23,28H,3-4,9-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048313
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H30N2O5S/c1-13(2)17(29)18(25)23-21(10-4-3-5-11-21)20(28)22-16(19(26)27)12-14-6-8-15(24)9-7-14/h6-9,13,16-17,24,29H,3-5,10-12H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)/t16-,17-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048324
PNG
((S)-3-(4-Hydroxy-phenyl)-2-[2-((S)-2-mercapto-3-me...)
Show SMILES CC(C)[C@H](S)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H26N2O5S/c1-10(2)14(26)15(22)20-18(3,4)17(25)19-13(16(23)24)9-11-5-7-12(21)8-6-11/h5-8,10,13-14,21,26H,9H2,1-4H3,(H,19,25)(H,20,22)(H,23,24)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048314
PNG
((S)-3-(1H-Indol-3-yl)-2-{[1-((S)-2-mercapto-3-meth...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C22H29N3O4S/c1-13(2)18(30)19(26)25-22(9-5-6-10-22)21(29)24-17(20(27)28)11-14-12-23-16-8-4-3-7-15(14)16/h3-4,7-8,12-13,17-18,23,30H,5-6,9-11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048305
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C18H26N2O4S2/c1-11(2)14(25)15(21)20-18(6-3-4-7-18)17(24)19-13(16(22)23)9-12-5-8-26-10-12/h5,8,10-11,13-14,25H,3-4,6-7,9H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048322
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[4-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H28N2O6S/c1-12(2)16(29)17(24)22-20(7-9-28-10-8-20)19(27)21-15(18(25)26)11-13-3-5-14(23)6-4-13/h3-6,12,15-16,23,29H,7-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048303
PNG
((S)-3-(5-Hydroxy-1H-indol-3-yl)-2-{[1-((S)-2-merca...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C22H29N3O5S/c1-12(2)18(31)19(27)25-22(7-3-4-8-22)21(30)24-17(20(28)29)9-13-11-23-16-6-5-14(26)10-15(13)16/h5-6,10-12,17-18,23,26,31H,3-4,7-9H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t17-,18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048308
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-10(2)14(26)15(22)20-18(7-8-18)17(25)19-13(16(23)24)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21,26H,7-9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048309
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-(2-mercapto-acetyla...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)CS
Show InChI InChI=1S/C17H22N2O5S/c20-12-5-3-11(4-6-12)9-13(15(22)23)18-16(24)17(7-1-2-8-17)19-14(21)10-25/h3-6,13,20,25H,1-2,7-10H2,(H,18,24)(H,19,21)(H,22,23)/t13-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048324
PNG
((S)-3-(4-Hydroxy-phenyl)-2-[2-((S)-2-mercapto-3-me...)
Show SMILES CC(C)[C@H](S)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H26N2O5S/c1-10(2)14(26)15(22)20-18(3,4)17(25)19-13(16(23)24)9-11-5-7-12(21)8-6-11/h5-8,10,13-14,21,26H,9H2,1-4H3,(H,19,25)(H,20,22)(H,23,24)/t13-,14-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048323
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC2CCC1C2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |TLB:15:8:14:12.11,THB:7:8:14:12.11|
Show InChI InChI=1S/C22H30N2O5S/c1-12(2)18(30)19(26)24-22(11-14-3-6-15(22)9-14)21(29)23-17(20(27)28)10-13-4-7-16(25)8-5-13/h4-5,7-8,12,14-15,17-18,25,30H,3,6,9-11H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t14?,15?,17-,18-,22?/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048319
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-methyl...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-17(2)22(33)23(29)28-26(14-6-7-15-26)25(32)27-21(24(30)31)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,17,21-22,33H,6-7,14-16H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048311
PNG
((S)-3-(4-Hydroxy-phenyl)-2-({1-[(1-mercapto-cyclop...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)C1(S)CCCC1
Show InChI InChI=1S/C21H28N2O5S/c24-15-7-5-14(6-8-15)13-16(17(25)26)22-18(27)20(9-1-2-10-20)23-19(28)21(29)11-3-4-12-21/h5-8,16,24,29H,1-4,9-13H2,(H,22,27)(H,23,28)(H,25,26)/t16-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048320
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C18H26N2O4S2/c1-11(2)14(25)15(21)20-18(7-3-4-8-18)17(24)19-13(16(22)23)10-12-6-5-9-26-12/h5-6,9,11,13-14,25H,3-4,7-8,10H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)/t13-,14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048315
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES COc1ccc(C[C@H](NC(=O)C2(CCCC2)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc1
Show InChI InChI=1S/C21H30N2O5S/c1-13(2)17(29)18(24)23-21(10-4-5-11-21)20(27)22-16(19(25)26)12-14-6-8-15(28-3)9-7-14/h6-9,13,16-17,29H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,24)(H,25,26)/t16-,17-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048317
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-p...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O5S/c27-18-10-8-17(9-11-18)14-19(22(29)30)25-23(31)24(12-4-5-13-24)26-21(28)20(32)15-16-6-2-1-3-7-16/h1-3,6-11,19-20,27,32H,4-5,12-15H2,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048304
PNG
((S)-3-(4-Fluoro-phenyl)-2-{[1-((S)-2-mercapto-3-me...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H27FN2O4S/c1-12(2)16(28)17(24)23-20(9-3-4-10-20)19(27)22-15(18(25)26)11-13-5-7-14(21)8-6-13/h5-8,12,15-16,28H,3-4,9-11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048307
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(Cc2ccccc2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H28N2O5S/c1-14(2)20(32)21(28)26-24(12-16-5-3-4-6-17(16)13-24)23(31)25-19(22(29)30)11-15-7-9-18(27)10-8-15/h3-10,14,19-20,27,32H,11-13H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048307
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(Cc2ccccc2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H28N2O5S/c1-14(2)20(32)21(28)26-24(12-16-5-3-4-6-17(16)13-24)23(31)25-19(22(29)30)11-15-7-9-18(27)10-8-15/h3-10,14,19-20,27,32H,11-13H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048306
PNG
((S)-2-[(S)-3-Biphenyl-4-yl-2-((S)-2-mercapto-3-met...)
Show SMILES CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H32N2O5S/c1-18(2)26(37)28(34)30-24(16-19-8-12-22(13-9-19)21-6-4-3-5-7-21)27(33)31-25(29(35)36)17-20-10-14-23(32)15-11-20/h3-15,18,24-26,32,37H,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,35,36)/t24-,25-,26-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048318
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-14(2)17(28)18(24)23-21(12-6-7-13-21)20(27)22-16(19(25)26)11-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17,28H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t16-,17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048313
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H30N2O5S/c1-13(2)17(29)18(25)23-21(10-4-3-5-11-21)20(28)22-16(19(26)27)12-14-6-8-15(24)9-7-14/h6-9,13,16-17,24,29H,3-5,10-12H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)/t16-,17-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048310
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(8-4-5-9-19)18(26)21-14(17(24)25)11-13-7-3-6-10-20-13/h3,6-7,10,12,14-15,27H,4-5,8-9,11H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048316
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1cccnc1)C(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(7-3-4-8-19)18(26)21-14(17(24)25)10-13-6-5-9-20-11-13/h5-6,9,11-12,14-15,27H,3-4,7-8,10H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048309
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-(2-mercapto-acetyla...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)CS
Show InChI InChI=1S/C17H22N2O5S/c20-12-5-3-11(4-6-12)9-13(15(22)23)18-16(24)17(7-1-2-8-17)19-14(21)10-25/h3-6,13,20,25H,1-2,7-10H2,(H,18,24)(H,19,21)(H,22,23)/t13-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048306
PNG
((S)-2-[(S)-3-Biphenyl-4-yl-2-((S)-2-mercapto-3-met...)
Show SMILES CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H32N2O5S/c1-18(2)26(37)28(34)30-24(16-19-8-12-22(13-9-19)21-6-4-3-5-7-21)27(33)31-25(29(35)36)17-20-10-14-23(32)15-11-20/h3-15,18,24-26,32,37H,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,35,36)/t24-,25-,26-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048323
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC2CCC1C2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |TLB:15:8:14:12.11,THB:7:8:14:12.11|
Show InChI InChI=1S/C22H30N2O5S/c1-12(2)18(30)19(26)24-22(11-14-3-6-15(22)9-14)21(29)23-17(20(27)28)10-13-4-7-16(25)8-5-13/h4-5,7-8,12,14-15,17-18,25,30H,3,6,9-11H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t14?,15?,17-,18-,22?/m0/s1
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n/an/a 65n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048319
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-methyl...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-17(2)22(33)23(29)28-26(14-6-7-15-26)25(32)27-21(24(30)31)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,17,21-22,33H,6-7,14-16H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 139n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair