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22 similar compounds to monomer 50027344

Compile data set for download or QSAR
Wt: 422.4
BDBM50017474
Wt: 476.5
BDBM50021801
Wt: 482.5
BDBM50027132
Wt: 436.5
BDBM50027480
Wt: 438.4
BDBM50027138
Wt: 422.4
BDBM50027141
Wt: 360.4
BDBM50027143
Wt: 423.4
BDBM50027144
Wt: 528.5
BDBM50027146
Wt: 438.4
BDBM50027147
Wt: 436.5
BDBM50027148
Wt: 436.5
BDBM50027150
Wt: 346.3
BDBM50027151
Wt: 472.5
BDBM50027152
Wt: 436.5
BDBM50027153
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50017474,50021801,50027132,50027480,50027138,50027141,50027143,50027144,50027146,50027147,50027148,50027150,50027151,50027152,50027153   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin I converting enzyme


J Med Chem 32: 1378-92 (1989)


Article DOI: 10.1021/jm00126a039
BindingDB Entry DOI: 10.7270/Q20G3KQ1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.


J Med Chem 30: 992-8 (1987)


Article DOI: 10.1021/jm00389a006
BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50017474
PNG
((S,S)-1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-p...)
Show SMILES OC(=O)C1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of angiotensin I converting enzyme in silico


J Med Chem 40: 3161-72 (1997)


Article DOI: 10.1021/jm970211n
BindingDB Entry DOI: 10.7270/Q2MG7QPB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine plasma Angiotensin I converting enzyme


J Med Chem 28: 1067-71 (1985)


Article DOI: 10.1021/jm00146a015
BindingDB Entry DOI: 10.7270/Q2CJ8FPX
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027480
PNG
(1-(6-Benzoylamino-5-oxo-7-phenyl-heptanoyl)-pyrrol...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)CCCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c28-22(14-7-15-23(29)27-16-8-13-21(27)25(31)32)20(17-18-9-3-1-4-10-18)26-24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,26,30)(H,31,32)/t20?,21-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027132
PNG
(1-[5-Benzoylamino-6-(3,4-dimethoxy-phenyl)-4-oxo-h...)
Show SMILES COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(O)=O)cc1OC
Show InChI InChI=1S/C26H30N2O7/c1-34-22-12-10-17(16-23(22)35-2)15-19(27-25(31)18-7-4-3-5-8-18)21(29)11-13-24(30)28-14-6-9-20(28)26(32)33/h3-5,7-8,10,12,16,19-20H,6,9,11,13-15H2,1-2H3,(H,27,31)(H,32,33)/t19?,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027143
PNG
(1-(5-Acetylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolid...)
Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H24N2O5/c1-13(22)20-15(12-14-6-3-2-4-7-14)17(23)9-10-18(24)21-11-5-8-16(21)19(25)26/h2-4,6-7,15-16H,5,8-12H2,1H3,(H,20,22)(H,25,26)/t15?,16-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027146
PNG
(1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hex...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C31H32N2O6/c34-28(17-18-29(35)33-19-7-12-27(33)31(37)38)26(32-30(36)24-10-5-2-6-11-24)20-22-13-15-25(16-14-22)39-21-23-8-3-1-4-9-23/h1-6,8-11,13-16,26-27H,7,12,17-21H2,(H,32,36)(H,37,38)/t26?,27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027153
PNG
(1-(6-Benzoylamino-5-oxo-7-phenyl-heptanoyl)-pyrrol...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c28-22(14-7-15-23(29)27-16-8-13-21(27)25(31)32)20(17-18-9-3-1-4-10-18)26-24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,26,30)(H,31,32)/t20?,21-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027152
PNG
(2-(5-Benzoylamino-4-oxo-6-phenyl-hexanoylamino)-3-...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O5/c31-25(16-17-26(32)29-24(28(34)35)19-21-12-6-2-7-13-21)23(18-20-10-4-1-5-11-20)30-27(33)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)(H,34,35)/t23?,24-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027138
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-4-hydro...)
Show SMILES OC1C[C@H](N(C1)C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H26N2O6/c27-18-14-20(24(31)32)26(15-18)22(29)12-11-21(28)19(13-16-7-3-1-4-8-16)25-23(30)17-9-5-2-6-10-17/h1-10,18-20,27H,11-15H2,(H,25,30)(H,31,32)/t18?,19?,20-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027148
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c1-32-25(31)21-13-8-16-27(21)23(29)15-14-22(28)20(17-18-9-4-2-5-10-18)26-24(30)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3,(H,26,30)/t20?,21-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027151
PNG
(1-(5-Benzoylamino-4-oxo-hexanoyl)-pyrrolidine-2-ca...)
Show SMILES CC(NC(=O)c1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H22N2O5/c1-12(19-17(23)13-6-3-2-4-7-13)15(21)9-10-16(22)20-11-5-8-14(20)18(24)25/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,19,23)(H,24,25)/t12?,14-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027144
PNG
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C23H25N3O5/c27-20(10-11-21(28)26-13-5-9-19(26)23(30)31)18(14-16-6-4-12-24-15-16)25-22(29)17-7-2-1-3-8-17/h1-4,6-8,12,15,18-19H,5,9-11,13-14H2,(H,25,29)(H,30,31)/t18?,19-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027150
PNG
(1-[5-(2-Methyl-benzoylamino)-4-oxo-6-phenyl-hexano...)
Show SMILES Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17-8-5-6-11-19(17)24(30)26-20(16-18-9-3-2-4-10-18)22(28)13-14-23(29)27-15-7-12-21(27)25(31)32/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,26,30)(H,31,32)/t20?,21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50021801
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-octahyd...)
Show SMILES OC(=O)C1CC2CCCCC2N1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H32N2O5/c31-25(15-16-26(32)30-23-14-8-7-13-21(23)18-24(30)28(34)35)22(17-19-9-3-1-4-10-19)29-27(33)20-11-5-2-6-12-20/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,33)(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.


J Med Chem 30: 992-8 (1987)


Article DOI: 10.1021/jm00389a006
BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027147
PNG
(1-[5-Benzoylamino-6-(4-hydroxy-phenyl)-4-oxo-hexan...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c27-18-10-8-16(9-11-18)15-19(25-23(30)17-5-2-1-3-6-17)21(28)12-13-22(29)26-14-4-7-20(26)24(31)32/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,25,30)(H,31,32)/t19?,20-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair