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Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'fink' and Initial = 'ca'   
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))
BDBM50283607
PNG
(7-(2-Mercaptomethyl-3-phenyl-propionylamino)-hepta...)
Show SMILES OC(=O)CCCCCCNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C17H25NO3S/c19-16(20)10-6-1-2-7-11-18-17(21)15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13H2,(H,18,21)(H,19,20)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
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))
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))
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))
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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n/an/a 5.40n/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))
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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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
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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n/an/a 7n/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
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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n/an/a 8.70n/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)
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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n/an/a 8.80n/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
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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n/an/a 9.20n/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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119751
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(nc1)-c1cccs1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)12-19(32)21(28)27-24(9-3-4-10-24)23(31)26-18(22(29)30)13-16-7-8-17(25-14-16)20-6-5-11-33-20/h5-8,11,14-15,18-19,32H,3-4,9-10,12-13H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t18-,19-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119742
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)11-20(32)21(28)27-24(8-3-4-9-24)23(31)26-19(22(29)30)12-16-5-6-18(25-13-16)17-7-10-33-14-17/h5-7,10,13-15,19-20,32H,3-4,8-9,11-12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
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)
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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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)
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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n/an/a 11n/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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091878
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-methox...)
Show SMILES COC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-32-16-21(33)22(28)27-25(13-5-6-14-25)24(31)26-20(23(29)30)15-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12,20-21,33H,5-6,13-16H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t20-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1


Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
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
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073885
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-4.06,-11.34,;-4.06,-9.8,;-2.73,-9.05,;-2.73,-7.51,;-4.04,-6.74,;-4.04,-5.2,;-2.73,-4.43,;-4.06,-3.66,;-4.06,-2.12,;-1.38,-5.2,;-1.38,-6.74,;-1.38,-3.66,;-1.38,-2.12,;-.05,-4.43,;1.28,-3.66,;1.28,-2.12,;2.03,-.77,;1.25,.55,;1.99,1.89,;3.53,1.92,;4.28,3.27,;4.33,.6,;3.57,-.75,;2.61,-4.43,;2.61,-5.97,;3.95,-3.66,;5.27,-4.43,;6.62,-3.64,;7.96,-4.41,;7.96,-5.95,;6.62,-6.72,;5.29,-5.97,)|
Show InChI InChI=1S/C25H32N2O4S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)27-22(16-18-8-10-20(28)11-9-18)23(29)26-19-6-4-3-5-7-19/h3-11,21-22,28,32H,2,12-17H2,1H3,(H,26,29)(H,27,30)/t21-,22-,25+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50286721
PNG
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)16-18-8-2-1-3-9-18)28-22(26(31)29-15-7-14-23(29)27(32)33)17-20-12-6-11-19-10-4-5-13-21(19)20/h1-6,8-13,22-24,34H,7,14-17H2,(H,28,30)(H,32,33)/t22-,23-,24-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 5: 735-738 (1995)


Article DOI: 10.1016/0960-894X(95)00105-3
BindingDB Entry DOI: 10.7270/Q2611097
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50283610
PNG
((3S,5S)-4-(2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H26N2O4S2/c1-12(10-26)18(23)21-9-15(8-16(21)19(24)25)20-17(22)14(11-27)7-13-5-3-2-4-6-13/h2-6,12,14-16,26-27H,7-11H2,1H3,(H,20,22)(H,24,25)/t12-,14?,15+,16+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
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
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))
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
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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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
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073886
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 |wU:6.11,14.14,3.2,wD:6.6,(-8.04,-11.59,;-8.04,-10.05,;-6.73,-9.3,;-6.73,-7.76,;-8.04,-6.99,;-8.04,-5.45,;-6.73,-4.68,;-8.04,-3.91,;-8.04,-2.37,;-5.38,-5.45,;-5.38,-6.99,;-5.38,-3.91,;-5.38,-2.37,;-4.03,-4.68,;-2.72,-3.91,;-2.72,-2.37,;-1.95,-1.03,;-2.75,.29,;-2.01,1.64,;-.47,1.67,;.33,.34,;-.41,-1.01,;-1.37,-4.68,;-1.37,-6.22,;-.05,-3.91,;1.29,-4.68,;2.64,-3.89,;3.96,-4.66,;3.96,-6.2,;2.64,-6.97,;1.29,-6.22,)|
Show InChI InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(29)27-21(15-18-7-4-3-5-8-18)22(28)26-19-9-6-14-25-16-19/h3-9,14,16,20-21,31H,2,10-13,15,17H2,1H3,(H,26,28)(H,27,29)/t20-,21-,24+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073892
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC |wU:6.11,14.14,3.2,wD:6.6,(-5.92,-8.71,;-5.92,-7.17,;-4.61,-6.43,;-4.61,-4.89,;-5.92,-4.12,;-5.92,-2.58,;-4.61,-1.81,;-5.92,-1.04,;-5.92,.5,;-3.26,-2.58,;-3.26,-4.12,;-3.26,-1.04,;-3.26,.5,;-1.91,-1.81,;-.6,-1.04,;-.6,.5,;.17,1.85,;-.63,3.17,;.11,4.51,;1.65,4.54,;2.45,3.23,;1.71,1.88,;.75,-1.81,;.75,-3.35,;2.06,-1.04,;2.06,.5,)|
Show InChI InChI=1S/C20H30N2O3S/c1-3-25-16-9-11-20(14-26,12-10-16)19(24)22-17(18(23)21-2)13-15-7-5-4-6-8-15/h4-8,16-17,26H,3,9-14H2,1-2H3,(H,21,23)(H,22,24)/t16-,17-,20+/m0/s1
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Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


BindingDB Entry DOI: 10.7270/Q2RX9B7F
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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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


(Homo sapiens (Human))
BDBM50283612
PNG
((3S,5R)-4-(2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](CS)C(=O)N1C[C@@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H26N2O4S2/c1-12(10-26)18(23)21-9-15(8-16(21)19(24)25)20-17(22)14(11-27)7-13-5-3-2-4-6-13/h2-6,12,14-16,26-27H,7-11H2,1H3,(H,20,22)(H,24,25)/t12-,14?,15-,16+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50286722
PNG
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)17-18-7-2-1-3-8-18)28-22(26(31)29-14-6-11-23(29)27(32)33)16-19-12-13-20-9-4-5-10-21(20)15-19/h1-5,7-10,12-13,15,22-24,34H,6,11,14,16-17H2,(H,28,30)(H,32,33)/t22-,23-,24-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 5: 735-738 (1995)


Article DOI: 10.1016/0960-894X(95)00105-3
BindingDB Entry DOI: 10.7270/Q2611097
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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091888
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-4-methyl...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H34N2O4S/c1-18(2)16-23(34)24(30)29-27(14-6-7-15-27)26(33)28-22(25(31)32)17-19-10-12-21(13-11-19)20-8-4-3-5-9-20/h3-5,8-13,18,22-23,34H,6-7,14-17H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/t22-,23-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50283609
PNG
((3S,5S)-4-(3-Biphenyl-4-yl-2-mercaptomethyl-propio...)
Show SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-16(14-32)24(29)27-13-21(12-22(27)25(30)31)26-23(28)20(15-33)11-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,16,20-22,32-33H,11-15H2,1H3,(H,26,28)(H,30,31)/t16-,20?,21+,22+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
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