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9 similar compounds to monomer 50368166

Compile data set for download or QSAR
Wt: 438.5
BDBM50452255
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Wt: 498.5
BDBM50452252
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Wt: 438.5
BDBM50452254
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Wt: 526.6
BDBM50021535
Wt: 466.5
BDBM50021543
Wt: 452.5
BDBM50021526
Wt: 498.5
BDBM50084673
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Wt: 396.4
BDBM50279944
Wt: 410.4
BDBM50367258
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50452255,50452252,50452254,50021535,50021543,50021526,50084673,50279944,50367258   
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))
BDBM50279944
PNG
((R)-2-(2-Carboxymethyl-3-oxo-2,3,4,5-tetrahydro-1H...)
Show SMILES OC(=O)CN1Cc2ccccc2CC(N[C@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-13-17-9-5-4-8-16(17)12-19(21(24)27)23-18(22(28)29)11-10-15-6-2-1-3-7-15/h1-9,18-19,23H,10-14H2,(H,25,26)(H,28,29)/t18-,19?/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound was tested angiotensin converting enzyme


Bioorg Med Chem Lett 1: 309-312 (1991)


Article DOI: 10.1016/S0960-894X(01)80814-3
BindingDB Entry DOI: 10.7270/Q208657V
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50452255
PNG
(CHEMBL2114322)
Show SMILES CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21+,22-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50452254
PNG
(CHEMBL2115288)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O
Show InChI InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50452252
PNG
(CHEMBL2115075)
Show SMILES CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O
Show InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21+,22-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50084673
PNG
((S)-2-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O
Show InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021526
PNG
((S,S,S) 2-{2-[(1-Ethoxycarbonyl-3-phenyl-propyl)-m...)
Show SMILES CCOC(=O)C(CCc1ccccc1)N(C)C(C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C26H32N2O5/c1-4-33-26(32)22(15-14-19-10-6-5-7-11-19)27(3)18(2)24(29)28-17-21-13-9-8-12-20(21)16-23(28)25(30)31/h5-13,18,22-23H,4,14-17H2,1-3H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367258
PNG
(CI-928 | QUINAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021535
PNG
((S,S,S) 2-[2-(1-Ethoxycarbonyl-3-phenyl-propylamin...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)OCC
Show InChI InChI=1S/C29H38N2O7/c1-6-37-28(33)23(14-13-20-11-9-8-10-12-20)30-19(3)27(32)31-18-22-17-26(36-5)25(35-4)16-21(22)15-24(31)29(34)38-7-2/h8-12,16-17,19,23-24,30H,6-7,13-15,18H2,1-5H3
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n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021543
PNG
(2-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)OCC
Show InChI InChI=1S/C27H34N2O5/c1-4-33-26(31)23(16-15-20-11-7-6-8-12-20)28-19(3)25(30)29-18-22-14-10-9-13-21(22)17-24(29)27(32)34-5-2/h6-14,19,23-24,28H,4-5,15-18H2,1-3H3
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367258
PNG
(CI-928 | QUINAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory potency against angiotensin I converting enzyme


J Med Chem 34: 511-7 (1991)


Article DOI: 10.1021/jm00106a005
BindingDB Entry DOI: 10.7270/Q2JS9R1G
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50084673
PNG
((S)-2-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(O)=O
Show InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367258
PNG
(CI-928 | QUINAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum


J Med Chem 28: 1291-5 (1985)


Article DOI: 10.1021/jm00147a030
BindingDB Entry DOI: 10.7270/Q2GF0V34
More data for this
Ligand-Target Pair