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19 similar compounds to monomer 21642

Compile data set for download or QSAR
Wt: 217.2
BDBM50011362
Purchase
Wt: 203.2
BDBM50011366
Wt: 217.2
BDBM50011367
Purchase
Wt: 203.2
BDBM50018792
Wt: 245.3
BDBM50020766
Wt: 231.2
BDBM50021807
Wt: 229.2
BDBM50021312
Wt: 229.2
BDBM50021314
Wt: 229.2
BDBM50071318
Wt: 229.2
BDBM50071319
Wt: 217.2
BDBM50140754
Purchase
Wt: 288.3
BDBM50282857
Wt: 245.3
BDBM50367217
Wt: 203.2
BDBM50406952
Wt: 218.2
BDBM50406914
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50011362,50011366,50011367,50018792,50020766,50021807,50021312,50021314,50071318,50071319,50140754,50282857,50367217,50406952,50406914   
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


(Oryctolagus cuniculus)
BDBM50071319
PNG
((1S,3S,5S)-2-((S)-3-Mercapto-2-methyl-propionyl)-2...)
Show SMILES C[C@H](CS)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C10H15NO3S/c1-5(4-15)9(12)11-7-2-6(7)3-8(11)10(13)14/h5-8,15H,2-4H2,1H3,(H,13,14)/t5-,6+,7+,8+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Angiotensin I converting enzyme


Bioorg Med Chem Lett 8: 2123-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00377-1
BindingDB Entry DOI: 10.7270/Q2XD125K
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/s2
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n/an/a 200n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011362
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@@H](CS)C(=O)N1CCCC1C(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?/m0/s1
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n/an/a 1.5n/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


(Oryctolagus cuniculus)
BDBM50011367
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@H](CS)C(=O)N1CCCC1C(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 23n/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


(Oryctolagus cuniculus)
BDBM50011366
PNG
((S)1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxyl...)
Show SMILES OC(=O)C1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)
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n/an/a 200n/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


(Rattus norvegicus)
BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/s2
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n/an/a 820n/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


(Oryctolagus cuniculus)
BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/s2
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme in rabbit lung, using hippuryl-histidyl-leucine as substrate


J Med Chem 25: 250-8 (1982)


Article DOI: 10.1021/jm00345a011
BindingDB Entry DOI: 10.7270/Q28053SJ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020766
PNG
((R+S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/s2
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n/an/a 200n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme with relative to captopril(=1)


J Med Chem 31: 875-85 (1988)


Article DOI: 10.1021/jm00399a033
BindingDB Entry DOI: 10.7270/Q2GT5NRV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020766
PNG
((R+S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3


J Med Chem 28: 57-66 (1985)


Article DOI: 10.1021/jm00379a013
BindingDB Entry DOI: 10.7270/Q2M90975
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367217
PNG
(CHEMBL1907938)
Show SMILES C[C@H](CS)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/s2
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3


J Med Chem 28: 57-66 (1985)


Article DOI: 10.1021/jm00379a013
BindingDB Entry DOI: 10.7270/Q2M90975
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/s2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282857
PNG
(1-[2-((S)-3-Mercapto-2-methyl-propionylamino)-prop...)
Show SMILES C[C@H](CS)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C12H20N2O4S/c1-7(6-19)10(15)13-8(2)11(16)14-5-3-4-9(14)12(17)18/h7-9,19H,3-6H2,1-2H3,(H,13,15)(H,17,18)/t7-,8+,9-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50282857
PNG
(1-[2-((S)-3-Mercapto-2-methyl-propionylamino)-prop...)
Show SMILES C[C@H](CS)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C12H20N2O4S/c1-7(6-19)10(15)13-8(2)11(16)14-5-3-4-9(14)12(17)18/h7-9,19H,3-6H2,1-2H3,(H,13,15)(H,17,18)/t7-,8+,9-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50021807
PNG
((S,S)1-(3-Mercapto-2-methyl-propionyl)-5-oxo-pyrro...)
Show SMILES CC(CS)C(=O)N1C(CCC1=O)C(O)=O
Show InChI InChI=1/C9H13NO4S/c1-5(4-15)8(12)10-6(9(13)14)2-3-7(10)11/h5-6,15H,2-4H2,1H3,(H,13,14)
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n/an/a 9.30n/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


(Rattus norvegicus)
BDBM50021312
PNG
(1-(2-Mercapto-cyclobutanecarbonyl)-pyrrolidine-2-c...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]1S
Show InChI InChI=1S/C10H15NO3S/c12-9(6-3-4-8(6)15)11-5-1-2-7(11)10(13)14/h6-8,15H,1-5H2,(H,13,14)/t6-,7+,8-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme


J Med Chem 29: 411-7 (1986)


Article DOI: 10.1021/jm00153a017
BindingDB Entry DOI: 10.7270/Q218372M
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50021314
PNG
(1-(2-Mercapto-cyclobutanecarbonyl)-pyrrolidine-2-c...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]1S
Show InChI InChI=1S/C10H15NO3S/c12-9(6-3-4-8(6)15)11-5-1-2-7(11)10(13)14/h6-8,15H,1-5H2,(H,13,14)/t6-,7-,8-/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme


J Med Chem 29: 411-7 (1986)


Article DOI: 10.1021/jm00153a017
BindingDB Entry DOI: 10.7270/Q218372M
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50011367
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@H](CS)C(=O)N1CCCC1C(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 23n/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
Succinyl-diaminopimelate desuccinylase


(Haemophilus influenzae)
BDBM50140754
PNG
((R)-1-((S)-3-Mercapto-2-methyl-propionyl)-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 4.20E+4n/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae recombinant DapE


Bioorg Med Chem Lett 19: 6350-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.077
BindingDB Entry DOI: 10.7270/Q2833T06
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021312
PNG
(1-(2-Mercapto-cyclobutanecarbonyl)-pyrrolidine-2-c...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]1S
Show InChI InChI=1S/C10H15NO3S/c12-9(6-3-4-8(6)15)11-5-1-2-7(11)10(13)14/h6-8,15H,1-5H2,(H,13,14)/t6-,7+,8-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50406914
PNG
(CHEMBL412666)
Show SMILES NC(CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3S/c9-5(4-14)7(11)10-3-1-2-6(10)8(12)13/h5-6,14H,1-4,9H2,(H,12,13)/t5?,6-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021807
PNG
((S,S)1-(3-Mercapto-2-methyl-propionyl)-5-oxo-pyrro...)
Show SMILES CC(CS)C(=O)N1C(CCC1=O)C(O)=O
Show InChI InChI=1/C9H13NO4S/c1-5(4-15)8(12)10-6(9(13)14)2-3-7(10)11/h5-6,15H,2-4H2,1H3,(H,13,14)
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n/an/a 31.6n/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))
BDBM50021312
PNG
(1-(2-Mercapto-cyclobutanecarbonyl)-pyrrolidine-2-c...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]1S
Show InChI InChI=1S/C10H15NO3S/c12-9(6-3-4-8(6)15)11-5-1-2-7(11)10(13)14/h6-8,15H,1-5H2,(H,13,14)/t6-,7+,8-/m1/s1
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n/an/a 158n/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))
BDBM50406952
PNG
(CHEMBL305938)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)CCS
Show InChI InChI=1S/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/m1/s1
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n/an/a 1.82E+6n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS
Show InChI InChI=1/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/s2
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory activity against Angiotensin I converting enzyme was evaluated in renal hypertensive rats


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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50071318
PNG
((1R,3S,5R)-2-((S)-3-Mercapto-2-methyl-propionyl)-2...)
Show SMILES C[C@H](CS)C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C10H15NO3S/c1-5(4-15)9(12)11-7-2-6(7)3-8(11)10(13)14/h5-8,15H,2-4H2,1H3,(H,13,14)/t5-,6-,7-,8+/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Angiotensin I converting enzyme


Bioorg Med Chem Lett 8: 2123-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00377-1
BindingDB Entry DOI: 10.7270/Q2XD125K
More data for this
Ligand-Target Pair