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PubMed code 3009814

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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)
BDBM50021340
PNG
(CHEMBL166743 | [(2-Mercapto-propionyl)-p-tolyl-ami...)
Show SMILES CC(S)C(=O)N(CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H15NO3S/c1-8-3-5-10(6-4-8)13(7-11(14)15)12(16)9(2)17/h3-6,9,17H,7H2,1-2H3,(H,14,15)
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021332
PNG
(CHEMBL165952 | [Cyclopentyl-(2-mercapto-propionyl)...)
Show SMILES CC(S)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1S/C10H17NO3S/c1-7(15)10(14)11(6-9(12)13)8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H,12,13)
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021338
PNG
(3-(2-Mercapto-propionyl)-thiazolidine-4-carboxylic...)
Show SMILES CC(S)C(=O)N1CSC[C@H]1C(O)=O
Show InChI InChI=1S/C7H11NO3S2/c1-4(12)6(9)8-3-13-2-5(8)7(10)11/h4-5,12H,2-3H2,1H3,(H,10,11)/t4?,5-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of activity of rabbit lung Angiotensin I converting enzyme at pH 8.5; 0.14-10


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021338
PNG
(3-(2-Mercapto-propionyl)-thiazolidine-4-carboxylic...)
Show SMILES CC(S)C(=O)N1CSC[C@H]1C(O)=O
Show InChI InChI=1S/C7H11NO3S2/c1-4(12)6(9)8-3-13-2-5(8)7(10)11/h4-5,12H,2-3H2,1H3,(H,10,11)/t4?,5-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021336
PNG
(CHEMBL355163 | [(2-Acetylsulfanyl-propionyl)-p-tol...)
Show SMILES CC(SC(C)=O)C(=O)N(CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H17NO4S/c1-9-4-6-12(7-5-9)15(8-13(17)18)14(19)10(2)20-11(3)16/h4-7,10H,8H2,1-3H3,(H,17,18)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021333
PNG
(CHEMBL167651 | [(2-Acetylsulfanyl-propionyl)-cyclo...)
Show SMILES CC(SC(C)=O)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1S/C12H19NO4S/c1-8(18-9(2)14)12(17)13(7-11(15)16)10-5-3-4-6-10/h8,10H,3-7H2,1-2H3,(H,15,16)
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n/an/a 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50421739
PNG
(CHEMBL2110192)
Show SMILES C[C@H](SC(C)=O)C(=O)N1CSC[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S2/c1-5(16-6(2)11)8(12)10-4-15-3-7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,13,14)/t5-,7-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020805
PNG
((2-Mercapto-propionylamino)-acetic acid | CHEMBL13...)
Show SMILES CC(S)C(=O)NCC(O)=O
Show InChI InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021343
PNG
(2-[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]...)
Show SMILES CC(SC(C)=O)C(=O)N(C(C)C(O)=O)C1CCCC1
Show InChI InChI=1S/C13H21NO4S/c1-8(13(17)18)14(11-6-4-5-7-11)12(16)9(2)19-10(3)15/h8-9,11H,4-7H2,1-3H3,(H,17,18)
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n/an/a 6.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021339
PNG
(2-[Cyclopentyl-(2-mercapto-propionyl)-amino]-propi...)
Show SMILES CC(S)C(=O)N(C(C)C(O)=O)C1CCCC1
Show InChI InChI=1S/C11H19NO3S/c1-7(11(14)15)12(10(13)8(2)16)9-5-3-4-6-9/h7-9,16H,3-6H2,1-2H3,(H,14,15)
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n/an/a 6.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021342
PNG
(3-(2-Mercapto-propionyl)-2,2,5,5-tetramethyl-thiaz...)
Show SMILES CC(S)C(=O)N1C(C(O)=O)C(C)(C)SC1(C)C
Show InChI InChI=1S/C11H19NO3S2/c1-6(16)8(13)12-7(9(14)15)10(2,3)17-11(12,4)5/h6-7,16H,1-5H3,(H,14,15)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50421758
PNG
(CHEMBL2110310)
Show SMILES C[C@@H](SC(C)=O)C(=O)N1CSC[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S2/c1-5(16-6(2)11)8(12)10-4-15-3-7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,13,14)/t5-,7+/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021341
PNG
(2-[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]...)
Show SMILES CC(SC(C)=O)C(=O)N(C1CCCC1)C(C)(C)C(O)=O
Show InChI InChI=1S/C14H23NO4S/c1-9(20-10(2)16)12(17)15(11-7-5-6-8-11)14(3,4)13(18)19/h9,11H,5-8H2,1-4H3,(H,18,19)
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n/an/a 9.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021337
PNG
(2-(2-Acetylsulfanyl-propionyl)-3-methyl-1,2,3,4-te...)
Show SMILES CC(SC(C)=O)C(=O)N1Cc2ccccc2CC1(C)C(O)=O
Show InChI InChI=1S/C16H19NO4S/c1-10(22-11(2)18)14(19)17-9-13-7-5-4-6-12(13)8-16(17,3)15(20)21/h4-7,10H,8-9H2,1-3H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021335
PNG
(3-(2-Acetylsulfanyl-propionyl)-2,2,5,5-tetramethyl...)
Show SMILES CC(SC(C)=O)C(=O)N1C(C(O)=O)C(C)(C)SC1(C)C
Show InChI InChI=1S/C13H21NO4S2/c1-7(19-8(2)15)10(16)14-9(11(17)18)12(3,4)20-13(14,5)6/h7,9H,1-6H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the activity of rabbit lung Angiotensin I converting enzyme


J Med Chem 29: 784-96 (1986)


BindingDB Entry DOI: 10.7270/Q2F47N4B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%