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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 384.3
BDBM50021026
Wt: 474.5
BDBM50021027
Wt: 446.4
BDBM50021029
Wt: 370.4
BDBM50021030
Wt: 562.5
BDBM50021031
Wt: 402.4
BDBM50021032
Wt: 576.6
BDBM50021033
Wt: 460.4
BDBM50021034
Wt: 348.3
BDBM50367254
Purchase
Wt: 430.4
BDBM50367255

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 37 hits in this display   
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
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
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
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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1.40n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021031
PNG
(CHEMBL19352 | N-[[[(Tyrosylglycyl)amino]methyl]hyd...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H38N5O7P/c1-17(2)12-22(26(35)36)30-23(14-18-6-4-3-5-7-18)31-39(37,38)16-29-24(33)15-28-25(34)21(27)13-19-8-10-20(32)11-9-19/h3-11,17,21-23,30,32H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,35,36)(H2,31,37,38)/p-1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021032
PNG
(CHEMBL281394 | N-[[(Acetylamino)methyl]hydroxyphos...)
Show SMILES CSCCC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C16H26N3O5PS/c1-12(20)17-11-25(23,24)19-15(10-13-6-4-3-5-7-13)18-14(16(21)22)8-9-26-2/h3-7,14-15,18H,8-11H2,1-2H3,(H,17,20)(H,21,22)(H2,19,23,24)/p-1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021033
PNG
(CHEMBL429227 | N-[[[(Tyrosyl-D-alanyl)amino]methyl...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)[C@H](C)NC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H40N5O7P/c1-17(2)13-23(27(36)37)31-24(15-19-7-5-4-6-8-19)32-40(38,39)16-29-25(34)18(3)30-26(35)22(28)14-20-9-11-21(33)12-10-20/h4-12,17-18,22-24,31,33H,13-16,28H2,1-3H3,(H,29,34)(H,30,35)(H,36,37)(H2,32,38,39)/p-1/t18-,22?,23?,24?/m0/s1
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021030
PNG
(CHEMBL277431 | N-(Hydroxymethylphosphinothioyl)phe...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NP(C)([O-])=S)C([O-])=O
Show InChI InChI=1S/C16H25N2O4PS/c1-11(2)9-14(16(20)21)17-15(19)13(18-23(3,22)24)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,19)(H,20,21)(H2,18,22,24)/p-2
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420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021026
PNG
(CHEMBL417094 | N-[[(Acetylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C17H28N3O5P/c1-12(2)9-15(17(22)23)19-16(10-14-7-5-4-6-8-14)20-26(24,25)11-18-13(3)21/h4-8,12,15-16,19H,9-11H2,1-3H3,(H,18,21)(H,22,23)(H2,20,24,25)/p-1
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850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021033
PNG
(CHEMBL429227 | N-[[[(Tyrosyl-D-alanyl)amino]methyl...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)[C@H](C)NC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H40N5O7P/c1-17(2)13-23(27(36)37)31-24(15-19-7-5-4-6-8-19)32-40(38,39)16-29-25(34)18(3)30-26(35)22(28)14-20-9-11-21(33)12-10-20/h4-12,17-18,22-24,31,33H,13-16,28H2,1-3H3,(H,29,34)(H,30,35)(H,36,37)(H2,32,38,39)/p-1/t18-,22?,23?,24?/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021032
PNG
(CHEMBL281394 | N-[[(Acetylamino)methyl]hydroxyphos...)
Show SMILES CSCCC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C16H26N3O5PS/c1-12(20)17-11-25(23,24)19-15(10-13-6-4-3-5-7-13)18-14(16(21)22)8-9-26-2/h3-7,14-15,18H,8-11H2,1-2H3,(H,17,20)(H,21,22)(H2,19,23,24)/p-1
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3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021031
PNG
(CHEMBL19352 | N-[[[(Tyrosylglycyl)amino]methyl]hyd...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H38N5O7P/c1-17(2)12-22(26(35)36)30-23(14-18-6-4-3-5-7-18)31-39(37,38)16-29-24(33)15-28-25(34)21(27)13-19-8-10-20(32)11-9-19/h3-11,17,21-23,30,32H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,35,36)(H2,31,37,38)/p-1
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021026
PNG
(CHEMBL417094 | N-[[(Acetylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C17H28N3O5P/c1-12(2)9-15(17(22)23)19-16(10-14-7-5-4-6-8-14)20-26(24,25)11-18-13(3)21/h4-8,12,15-16,19H,9-11H2,1-3H3,(H,18,21)(H,22,23)(H2,20,24,25)/p-1
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6.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021029
PNG
(CHEMBL19443 | N-[[(Benzoylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30N3O5P/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30)/p-1
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1.06E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021030
PNG
(CHEMBL277431 | N-(Hydroxymethylphosphinothioyl)phe...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NP(C)([O-])=S)C([O-])=O
Show InChI InChI=1S/C16H25N2O4PS/c1-11(2)9-14(16(20)21)17-15(19)13(18-23(3,22)24)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,19)(H,20,21)(H2,18,22,24)/p-2
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1.11E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021034
PNG
(CHEMBL20089 | N-[[(Phenylacetyl)amino]methyl]hydro...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H32N3O5P/c1-17(2)13-20(23(28)29)25-21(14-18-9-5-3-6-10-18)26-32(30,31)16-24-22(27)15-19-11-7-4-8-12-19/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,24,27)(H,28,29)(H2,26,30,31)/p-1
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8.02E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021029
PNG
(CHEMBL19443 | N-[[(Benzoylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30N3O5P/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30)/p-1
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8.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021034
PNG
(CHEMBL20089 | N-[[(Phenylacetyl)amino]methyl]hydro...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H32N3O5P/c1-17(2)13-20(23(28)29)25-21(14-18-9-5-3-6-10-18)26-32(30,31)16-24-22(27)15-19-11-7-4-8-12-19/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,24,27)(H,28,29)(H2,26,30,31)/p-1
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1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50021027
PNG
(CHEMBL277394 | N-[[[(3-Phenylpropionoyl)amino]meth...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H34N3O5P/c1-18(2)15-21(24(29)30)26-22(16-20-11-7-4-8-12-20)27-33(31,32)17-25-23(28)14-13-19-9-5-3-6-10-19/h3-12,18,21-22,26H,13-17H2,1-2H3,(H,25,28)(H,29,30)(H2,27,31,32)/p-1
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1.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50367255
PNG
(CHEMBL1744144)
Show SMILES CCOP(=O)(CNC(C)=O)NC(Cc1ccccc1)NC(CCSC)C([O-])=O
Show InChI InChI=1S/C18H30N3O5PS/c1-4-26-27(25,13-19-14(2)22)21-17(12-15-8-6-5-7-9-15)20-16(18(23)24)10-11-28-3/h5-9,16-17,20H,4,10-13H2,1-3H3,(H,19,22)(H,21,25)(H,23,24)/p-1
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>1.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50367255
PNG
(CHEMBL1744144)
Show SMILES CCOP(=O)(CNC(C)=O)NC(Cc1ccccc1)NC(CCSC)C([O-])=O
Show InChI InChI=1S/C18H30N3O5PS/c1-4-26-27(25,13-19-14(2)22)21-17(12-15-8-6-5-7-9-15)20-16(18(23)24)10-11-28-3/h5-9,16-17,20H,4,10-13H2,1-3H3,(H,19,22)(H,21,25)(H,23,24)/p-1
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50021027
PNG
(CHEMBL277394 | N-[[[(3-Phenylpropionoyl)amino]meth...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H34N3O5P/c1-18(2)15-21(24(29)30)26-22(16-20-11-7-4-8-12-20)27-33(31,32)17-25-23(28)14-13-19-9-5-3-6-10-19/h3-12,18,21-22,26H,13-17H2,1-2H3,(H,25,28)(H,29,30)(H2,27,31,32)/p-1
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1.21E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
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
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 1.20n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


Article DOI: 10.1021/jm00106a030
BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 28: 434-42 (1985)


Article DOI: 10.1021/jm00382a008
BindingDB Entry DOI: 10.7270/Q2RV0PVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-Converting Enzyme 2


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in Hog plasma


J Med Chem 33: 1606-15 (1990)


Article DOI: 10.1021/jm00168a013
BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 2.30n/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))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 2.40n/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
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 2.60n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of Angiotensin I converting enzyme


J Med Chem 32: 1600-6 (1989)


Article DOI: 10.1021/jm00127a033
BindingDB Entry DOI: 10.7270/Q2M61KVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 2.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 3.10n/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
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 3.98n/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
3D
3D Structure (crystal)
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
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 4.30n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate


J Med Chem 31: 204-12 (1988)


Article DOI: 10.1021/jm00396a033
BindingDB Entry DOI: 10.7270/Q2SN0B5P
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
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 5.70n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate


J Med Chem 31: 422-8 (1988)


Article DOI: 10.1021/jm00397a027
BindingDB Entry DOI: 10.7270/Q2S75GWH
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
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 5.80n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in rabbit lung


J Med Chem 33: 1606-15 (1990)


Article DOI: 10.1021/jm00168a013
BindingDB Entry DOI: 10.7270/Q2CF9QPK
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
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)


Article DOI: 10.1021/jm00026a009
BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 3.10E+3n/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
3D
3D Structure (crystal)