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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50035545   
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


(Oryctolagus cuniculus)
BDBM50020771
PNG
(CHEMBL160361 | [(3-Mercapto-2-methyl-propionyl)-p-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C13H17NO3S/c1-9-3-5-11(6-4-9)14(7-12(15)16)13(17)10(2)8-18/h3-6,10,18H,7-8H2,1-2H3,(H,15,16)
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n/an/a 5n/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)


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 |r|
Show InChI InChI=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2M90975
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 17n/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)


BindingDB Entry DOI: 10.7270/Q2M90975
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=1S/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)


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


(Oryctolagus cuniculus)
BDBM50020794
PNG
(CHEMBL348040 | [Cyclobutyl-(3-mercapto-2-methyl-pr...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCC1
Show InChI InChI=1S/C10H17NO3S/c1-7(6-15)10(14)11(5-9(12)13)8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H,12,13)
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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)


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


(Oryctolagus cuniculus)
BDBM50020761
PNG
(CHEMBL346255 | [(3-Mercapto-2-methyl-propionyl)-m-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C13H17NO3S/c1-9-4-3-5-11(6-9)14(7-12(15)16)13(17)10(2)8-18/h3-6,10,18H,7-8H2,1-2H3,(H,15,16)
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n/an/a 19n/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)


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


(Oryctolagus cuniculus)
BDBM50020791
PNG
(CHEMBL346561 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CC2CCC1C2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)15(20)16(7-14(18)19)13-6-11-3-4-12(13)5-11/h9,11-13H,3-8H2,1-2H3,(H,18,19)
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n/an/a 20n/an/an/an/a8.3n/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)


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


(Oryctolagus cuniculus)
BDBM50020791
PNG
(CHEMBL346561 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CC2CCC1C2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)15(20)16(7-14(18)19)13-6-11-3-4-12(13)5-11/h9,11-13H,3-8H2,1-2H3,(H,18,19)
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n/an/a 20n/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)


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


(Oryctolagus cuniculus)
BDBM50020793
PNG
(CHEMBL23727 | [(4-Fluoro-phenyl)-(3-mercapto-2-met...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO3S/c1-8(7-18)12(17)14(6-11(15)16)10-4-2-9(13)3-5-10/h2-5,8,18H,6-7H2,1H3,(H,15,16)
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n/an/a 23n/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)


BindingDB Entry DOI: 10.7270/Q2M90975
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 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 28: 57-66 (1985)


BindingDB Entry DOI: 10.7270/Q2M90975
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 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 28: 57-66 (1985)


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


(Oryctolagus cuniculus)
BDBM50020779
PNG
(CHEMBL158962 | [Cyclopropyl-(3-mercapto-2-methyl-p...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CC1
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)9(13)10(4-8(11)12)7-2-3-7/h6-7,14H,2-5H2,1H3,(H,11,12)
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n/an/a 30n/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)


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


(Oryctolagus cuniculus)
BDBM50020798
PNG
(CHEMBL1788148 | CHEMBL23841 | [Cycloheptyl-(3-merc...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCCCC1
Show InChI InChI=1S/C13H23NO3S/c1-10(9-18)13(17)14(8-12(15)16)11-6-4-2-3-5-7-11/h10-11,18H,2-9H2,1H3,(H,15,16)
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n/an/a 31n/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)


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


(Oryctolagus cuniculus)
BDBM50020808
PNG
(CHEMBL1788147 | CHEMBL278348 | [Indan-2-yl-(3-merc...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C15H19NO3S/c1-10(9-20)15(19)16(8-14(17)18)13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13,20H,6-9H2,1H3,(H,17,18)
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n/an/a 31n/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)


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


(Oryctolagus cuniculus)
BDBM50020769
PNG
(CHEMBL345858 | [Bicyclo[2.2.1]hept-2-yl-(3-mercapt...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CC2CCC1C2 |THB:6:11:17:15.14|
Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)13(17)14(6-12(15)16)11-5-9-2-3-10(11)4-9/h8-11,18H,2-7H2,1H3,(H,15,16)
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n/an/a 32n/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)


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


(Oryctolagus cuniculus)
BDBM50020801
PNG
(CHEMBL23641 | [Indan-5-yl-(3-mercapto-2-methyl-pro...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc2CCCc2c1
Show InChI InChI=1S/C15H19NO3S/c1-10(9-20)15(19)16(8-14(17)18)13-6-5-11-3-2-4-12(11)7-13/h5-7,10,20H,2-4,8-9H2,1H3,(H,17,18)
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n/an/a 33n/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)


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


(Oryctolagus cuniculus)
BDBM50020768
PNG
(CHEMBL1788152 | CHEMBL23518 | [Cyclohexyl-(3-merca...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCCC1
Show InChI InChI=1S/C12H21NO3S/c1-9(8-17)12(16)13(7-11(14)15)10-5-3-2-4-6-10/h9-10,17H,2-8H2,1H3,(H,14,15)
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n/an/a 35n/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)


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


(Oryctolagus cuniculus)
BDBM50020763
PNG
(CHEMBL422013 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H21NO4S/c1-10-5-11(2)7-14(6-10)17(8-15(19)20)16(21)12(3)9-22-13(4)18/h5-7,12H,8-9H2,1-4H3,(H,19,20)
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n/an/a 44n/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)


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


(Oryctolagus cuniculus)
BDBM50020803
PNG
(CHEMBL350484 | [(3,5-Dimethyl-phenyl)-(3-mercapto-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C14H19NO3S/c1-9-4-10(2)6-12(5-9)15(7-13(16)17)14(18)11(3)8-19/h4-6,11,19H,7-8H2,1-3H3,(H,16,17)
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n/an/a 44n/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)


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


(Oryctolagus cuniculus)
BDBM50020786
PNG
(CHEMBL406430 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CCC2CC1C2(C)C |TLB:9:14:20:18|
Show InChI InChI=1S/C17H27NO4S/c1-10(9-23-11(2)19)16(22)18(8-15(20)21)14-6-5-12-7-13(14)17(12,3)4/h10,12-14H,5-9H2,1-4H3,(H,20,21)
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n/an/a 45n/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)


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


(Oryctolagus cuniculus)
BDBM50020792
PNG
(CHEMBL347259 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)c1ccc2CCCc2c1
Show InChI InChI=1S/C17H21NO4S/c1-11(10-23-12(2)19)17(22)18(9-16(20)21)15-7-6-13-4-3-5-14(13)8-15/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,21)
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n/an/a 48n/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)


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


(Oryctolagus cuniculus)
BDBM50020778
PNG
(CHEMBL159075 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C14H16FNO4S/c1-9(8-21-10(2)17)14(20)16(7-13(18)19)12-5-3-4-11(15)6-12/h3-6,9H,7-8H2,1-2H3,(H,18,19)
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n/an/a 51n/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)


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


(Oryctolagus cuniculus)
BDBM50020810
PNG
(CHEMBL346588 | [(3-Mercapto-2-methyl-propionyl)-(3...)
Show SMILES CSCCCN(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C10H19NO3S2/c1-8(7-15)10(14)11(6-9(12)13)4-3-5-16-2/h8,15H,3-7H2,1-2H3,(H,12,13)
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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)


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


(Oryctolagus cuniculus)
BDBM50020780
PNG
(CHEMBL422535 | [(3-Mercapto-2-methyl-propionyl)-th...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)Cc1cccs1
Show InChI InChI=1S/C11H15NO3S2/c1-8(7-16)11(15)12(6-10(13)14)5-9-3-2-4-17-9/h2-4,8,16H,5-7H2,1H3,(H,13,14)
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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)


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


(Oryctolagus cuniculus)
BDBM50020807
PNG
(CHEMBL350258 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(C)c1ccc(cc1)N(CC(O)=O)C(=O)C(C)CSC(C)=O
Show InChI InChI=1S/C17H23NO4S/c1-11(2)14-5-7-15(8-6-14)18(9-16(20)21)17(22)12(3)10-23-13(4)19/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
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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)


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


(Oryctolagus cuniculus)
BDBM50020783
PNG
(CHEMBL347447 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CCCCc1ccc(cc1)N(CC(O)=O)C(=O)C(C)CSC(C)=O
Show InChI InChI=1S/C18H25NO4S/c1-4-5-6-15-7-9-16(10-8-15)19(11-17(21)22)18(23)13(2)12-24-14(3)20/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,22)
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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)


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


(Oryctolagus cuniculus)
BDBM50020784
PNG
(CHEMBL346495 | [Isopropyl-(3-mercapto-2-methyl-pro...)
Show SMILES CC(C)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C9H17NO3S/c1-6(2)10(4-8(11)12)9(13)7(3)5-14/h6-7,14H,4-5H2,1-3H3,(H,11,12)
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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)


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


(Oryctolagus cuniculus)
BDBM50020774
PNG
(CHEMBL160689 | [Ethyl-(3-mercapto-2-methyl-propion...)
Show SMILES CCN(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C8H15NO3S/c1-3-9(4-7(10)11)8(12)6(2)5-13/h6,13H,3-5H2,1-2H3,(H,10,11)
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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)


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


(Oryctolagus cuniculus)
BDBM50020787
PNG
(CHEMBL345619 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CSc1cccc(c1)N(CC(O)=O)C(=O)C(C)CSC(C)=O
Show InChI InChI=1S/C15H19NO4S2/c1-10(9-22-11(2)17)15(20)16(8-14(18)19)12-5-4-6-13(7-12)21-3/h4-7,10H,8-9H2,1-3H3,(H,18,19)
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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)


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


(Oryctolagus cuniculus)
BDBM50020756
PNG
(CHEMBL348043 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C15H19NO4S/c1-10-5-4-6-13(7-10)16(8-14(18)19)15(20)11(2)9-21-12(3)17/h4-7,11H,8-9H2,1-3H3,(H,18,19)
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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)


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


(Oryctolagus cuniculus)
BDBM50020760
PNG
(2-[Cyclopropyl-(3-mercapto-2-methyl-propionyl)-ami...)
Show SMILES CC(CS)C(=O)N(C(C)C(O)=O)C1CC1
Show InChI InChI=1S/C10H17NO3S/c1-6(5-15)9(12)11(8-3-4-8)7(2)10(13)14/h6-8,15H,3-5H2,1-2H3,(H,13,14)
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n/an/a 79n/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)


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


(Oryctolagus cuniculus)
BDBM50020799
PNG
(CHEMBL160770 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1S/C13H21NO4S/c1-9(8-19-10(2)15)13(18)14(7-12(16)17)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,16,17)
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n/an/a 82n/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)


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


(Oryctolagus cuniculus)
BDBM50020811
PNG
(CHEMBL158673 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC1CC2CC(C1C)C2(C)C)CC(O)=O |TLB:17:16:18:14,THB:10:11:18:14|
Show InChI InChI=1S/C19H31NO4S/c1-11(10-25-13(3)21)18(24)20(9-17(22)23)8-14-6-15-7-16(12(14)2)19(15,4)5/h11-12,14-16H,6-10H2,1-5H3,(H,22,23)
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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)


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


(Oryctolagus cuniculus)
BDBM50020762
PNG
(CHEMBL350718 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CCCCCC1
Show InChI InChI=1S/C15H25NO4S/c1-11(10-21-12(2)17)15(20)16(9-14(18)19)13-7-5-3-4-6-8-13/h11,13H,3-10H2,1-2H3,(H,18,19)
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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)


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


(Oryctolagus cuniculus)
BDBM50020782
PNG
(CHEMBL347635 | [(3-Mercapto-2-methyl-propionyl)-(2...)
Show SMILES COCCN(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C9H17NO4S/c1-7(6-15)9(13)10(3-4-14-2)5-8(11)12/h7,15H,3-6H2,1-2H3,(H,11,12)
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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)


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


(Oryctolagus cuniculus)
BDBM50020802
PNG
(CHEMBL158994 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES COc1cccc(c1)N(CC(O)=O)C(=O)C(C)CSC(C)=O
Show InChI InChI=1S/C15H19NO5S/c1-10(9-22-11(2)17)15(20)16(8-14(18)19)12-5-4-6-13(7-12)21-3/h4-7,10H,8-9H2,1-3H3,(H,18,19)
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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)


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


(Oryctolagus cuniculus)
BDBM50020804
PNG
(CHEMBL346535 | [(3-Mercapto-2-methyl-propionyl)-o-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C13H17NO3S/c1-9-5-3-4-6-11(9)14(7-12(15)16)13(17)10(2)8-18/h3-6,10,18H,7-8H2,1-2H3,(H,15,16)
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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)


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


(Oryctolagus cuniculus)
BDBM50020809
PNG
(CHEMBL159000 | [(3-Mercapto-2-methyl-propionyl)-me...)
Show SMILES CC(CS)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C7H13NO3S/c1-5(4-12)7(11)8(2)3-6(9)10/h5,12H,3-4H2,1-2H3,(H,9,10)
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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)


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


(Oryctolagus cuniculus)
BDBM50020758
PNG
(CHEMBL347633 | [(3-Mercapto-2-methyl-propionyl)-(t...)
Show SMILES CC(CS)C(=O)N(CC1CCCO1)CC(O)=O
Show InChI InChI=1S/C11H19NO4S/c1-8(7-17)11(15)12(6-10(13)14)5-9-3-2-4-16-9/h8-9,17H,2-7H2,1H3,(H,13,14)
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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)


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


(Oryctolagus cuniculus)
BDBM50020767
PNG
(CHEMBL160927 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C15H19NO4S/c1-10-4-6-13(7-5-10)16(8-14(18)19)15(20)11(2)9-21-12(3)17/h4-7,11H,8-9H2,1-3H3,(H,18,19)
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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)


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


(Oryctolagus cuniculus)
BDBM50020817
PNG
(CHEMBL347853 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(C[C@H]1CC2CC(C1C)C2(C)C)CC(O)=O |TLB:17:16:18:14,THB:10:11:18:14|
Show InChI InChI=1S/C19H31NO4S/c1-11(10-25-13(3)21)18(24)20(9-17(22)23)8-14-6-15-7-16(12(14)2)19(15,4)5/h11-12,14-16H,6-10H2,1-5H3,(H,22,23)/t11?,12?,14-,15?,16?/m1/s1
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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)


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


(Oryctolagus cuniculus)
BDBM50020770
PNG
(CHEMBL160567 | [(3-Mercapto-2-methyl-propionyl)-(2...)
Show SMILES CC(CS)C(=O)N(C[C@H]1CC2CC(C1C)C2(C)C)CC(O)=O |TLB:14:13:15:11,THB:7:8:15:11|
Show InChI InChI=1S/C17H29NO3S/c1-10(9-22)16(21)18(8-15(19)20)7-12-5-13-6-14(11(12)2)17(13,3)4/h10-14,22H,5-9H2,1-4H3,(H,19,20)/t10?,11?,12-,13?,14?/m1/s1
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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)


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


(Oryctolagus cuniculus)
BDBM50020757
PNG
(CHEMBL158617 | [Furan-2-ylmethyl-(3-mercapto-2-met...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)Cc1ccco1
Show InChI InChI=1S/C11H15NO4S/c1-8(7-17)11(15)12(6-10(13)14)5-9-3-2-4-16-9/h2-4,8,17H,5-7H2,1H3,(H,13,14)
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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)


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


(Oryctolagus cuniculus)
BDBM50020796
PNG
(CHEMBL1788153 | CHEMBL284139 | [(4-Butyl-phenyl)-(...)
Show SMILES CCCCc1ccc(cc1)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C16H23NO3S/c1-3-4-5-13-6-8-14(9-7-13)17(10-15(18)19)16(20)12(2)11-21/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,18,19)
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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)


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


(Oryctolagus cuniculus)
BDBM50020789
PNG
((3-Mercapto-2-methyl-propionylamino)-acetic acid |...)
Show SMILES CC(CS)C(=O)NCC(O)=O
Show InChI InChI=1S/C6H11NO3S/c1-4(3-11)6(10)7-2-5(8)9/h4,11H,2-3H2,1H3,(H,7,10)(H,8,9)
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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)


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


(Oryctolagus cuniculus)
BDBM50020776
PNG
(CHEMBL160473 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CCC1
Show InChI InChI=1S/C12H19NO4S/c1-8(7-18-9(2)14)12(17)13(6-11(15)16)10-4-3-5-10/h8,10H,3-7H2,1-2H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 220n/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)


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


(Oryctolagus cuniculus)
BDBM50020781
PNG
(2-[(3-Acetylsulfanyl-2-methyl-propionyl)-cycloprop...)
Show SMILES CC(CSC(C)=O)C(=O)N(C(C)C(O)=O)C1CC1
Show InChI InChI=1S/C12H19NO4S/c1-7(6-18-9(3)14)11(15)13(10-4-5-10)8(2)12(16)17/h7-8,10H,4-6H2,1-3H3,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 220n/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)


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


(Oryctolagus cuniculus)
BDBM50020759
PNG
(CHEMBL346254 | [(3-Acetylsulfanyl-2-methyl-propion...)
Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CCCCC1
Show InChI InChI=1S/C14H23NO4S/c1-10(9-20-11(2)16)14(19)15(8-13(17)18)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/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)


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


(Oryctolagus cuniculus)
BDBM50020775
PNG
(CHEMBL159151 | [(3-Mercapto-2-methyl-propionyl)-pr...)
Show SMILES CC(CS)C(=O)N(CC#C)CC(O)=O
Show InChI InChI=1S/C9H13NO3S/c1-3-4-10(5-8(11)12)9(13)7(2)6-14/h1,7,14H,4-6H2,2H3,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/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)


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


(Oryctolagus cuniculus)
BDBM50020797
PNG
(CHEMBL554712 | [(1,1-Dioxo-tetrahydro-1lambda*6*-t...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCS(=O)(=O)C1
Show InChI InChI=1S/C10H17NO5S2/c1-7(5-17)10(14)11(4-9(12)13)8-2-3-18(15,16)6-8/h7-8,17H,2-6H2,1H3,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 280n/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)


BindingDB Entry DOI: 10.7270/Q2M90975
More data for this
Ligand-Target Pair
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