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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'ackerman' and Initial = 'mh'   
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)
BDBM50021783
PNG
(1-(3-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...)
Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C12H13NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h1-4,10,17H,5-7H2,(H,15,16)
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n/an/a 2.60n/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)
BDBM50021790
PNG
((S,S)1-(3-Mercapto-2-methyl-propionyl)-2,3-dihydro...)
Show SMILES CC(CS)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C13H15NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Escherichia coli


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)
BDBM50367173
PNG
(CHEMBL1744333)
Show SMILES CC(CS)C(=O)N(C(C)C(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(8-18)12(15)14(10(2)13(16)17)11-6-4-3-5-7-11/h3-7,9-10,18H,8H2,1-2H3,(H,16,17)
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n/an/a 4.30n/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)
BDBM50027697
PNG
(6-Fluoro-1-(3-mercapto-propionyl)-1,2,3,4-tetrahyd...)
Show SMILES OC(=O)C1CCc2cc(F)ccc2N1C(=O)CCS
Show InChI InChI=1S/C13H14FNO3S/c14-9-2-4-10-8(7-9)1-3-11(13(17)18)15(10)12(16)5-6-19/h2,4,7,11,19H,1,3,5-6H2,(H,17,18)
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n/an/a 4.70n/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)
BDBM50367155
PNG
(CHEMBL1744329)
Show SMILES OC(=O)C1CCc2cc(Cl)ccc2N1C(=O)CCS
Show InChI InChI=1S/C13H14ClNO3S/c14-9-2-4-10-8(7-9)1-3-11(13(17)18)15(10)12(16)5-6-19/h2,4,7,11,19H,1,3,5-6H2,(H,17,18)
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n/an/a 5n/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)
BDBM50367149
PNG
(CHEMBL1169540)
Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)[C@H](C)CS
Show InChI InChI=1S/C14H19NO5S/c1-9(8-21)14(18)15(7-13(16)17)10-4-5-11(19-2)12(6-10)20-3/h4-6,9,21H,7-8H2,1-3H3,(H,16,17)/t9-/m1/s1
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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)
BDBM50367146
PNG
(CHEMBL1744332)
Show SMILES COc1ccc(cc1OC)N(C(C)C(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C15H21NO5S/c1-9(8-22)14(17)16(10(2)15(18)19)11-5-6-12(20-3)13(7-11)21-4/h5-7,9-10,22H,8H2,1-4H3,(H,18,19)
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n/an/a 6.70n/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)
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 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)
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 7.10n/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)
BDBM50027736
PNG
(CHEMBL22654 | [Benzo[1,3]dioxol-5-yl-(3-mercapto-2...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H15NO5S/c1-8(6-20)13(17)14(5-12(15)16)9-2-3-10-11(4-9)19-7-18-10/h2-4,8,20H,5-7H2,1H3,(H,15,16)
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n/an/a 7.20n/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)
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 7.5n/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)
BDBM50367157
PNG
(CHEMBL1744325)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CSCCSC1
Show InChI InChI=1S/C11H19NO3S3/c1-8(5-16)11(15)12(4-10(13)14)9-6-17-2-3-18-7-9/h8-9,16H,2-7H2,1H3,(H,13,14)
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n/an/a 7.60n/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)
BDBM50367169
PNG
(CHEMBL1744334)
Show SMILES COc1ccc(cc1)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C13H17NO4S/c1-9(8-19)13(17)14(7-12(15)16)10-3-5-11(18-2)6-4-10/h3-6,9,19H,7-8H2,1-2H3,(H,15,16)
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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)
BDBM50021783
PNG
(1-(3-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...)
Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C12H13NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h1-4,10,17H,5-7H2,(H,15,16)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Lactobacillus casei


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)
BDBM50027731
PNG
(1-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-quinol...)
Show SMILES OC(=O)C1CCc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C13H15NO3S/c15-12(7-8-18)14-10-4-2-1-3-9(10)5-6-11(14)13(16)17/h1-4,11,18H,5-8H2,(H,16,17)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Escherichia coli


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)
BDBM50027717
PNG
(CHEMBL282730 | [(4-Ethoxy-phenyl)-(3-mercapto-2-me...)
Show SMILES CCOc1ccc(cc1)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C14H19NO4S/c1-3-19-12-6-4-11(5-7-12)15(8-13(16)17)14(18)10(2)9-20/h4-7,10,20H,3,8-9H2,1-2H3,(H,16,17)
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n/an/a 9.20n/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)
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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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)
BDBM50027696
PNG
(CHEMBL23379 | [(2,3-Dihydro-benzo[1,4]dioxin-6-yl)...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C14H17NO5S/c1-9(8-21)14(18)15(7-13(16)17)10-2-3-11-12(6-10)20-5-4-19-11/h2-3,6,9,21H,4-5,7-8H2,1H3,(H,16,17)
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n/an/a 10n/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)
BDBM50027716
PNG
(CHEMBL23347 | [(3-Mercapto-2-methyl-propionyl)-(3-...)
Show SMILES COc1cccc(c1)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C13H17NO4S/c1-9(8-19)13(17)14(7-12(15)16)10-4-3-5-11(6-10)18-2/h3-6,9,19H,7-8H2,1-2H3,(H,15,16)
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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)
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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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)
BDBM50027721
PNG
(CHEMBL279938 | [(3,4-Dimethyl-phenyl)-(3-mercapto-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C14H19NO3S/c1-9-4-5-12(6-10(9)2)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 12n/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)
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 12n/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)
BDBM50020800
PNG
(CHEMBL26338 | [(3-Mercapto-2-methyl-propionyl)-phe...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C12H15NO3S/c1-9(8-17)12(16)13(7-11(14)15)10-5-3-2-4-6-10/h2-6,9,17H,7-8H2,1H3,(H,14,15)
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n/an/a 13n/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)
BDBM50027731
PNG
(1-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-quinol...)
Show SMILES OC(=O)C1CCc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C13H15NO3S/c15-12(7-8-18)14-10-4-2-1-3-9(10)5-6-11(14)13(16)17/h1-4,11,18H,5-8H2,(H,16,17)
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n/an/a 13n/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)
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 15n/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)
BDBM50027718
PNG
(CHEMBL280420 | [(3,4-Dimethoxy-phenyl)-(3-mercapto...)
Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C14H19NO5S/c1-9(8-21)14(18)15(7-13(16)17)10-4-5-11(19-2)12(6-10)20-3/h4-6,9,21H,7-8H2,1-3H3,(H,16,17)
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n/an/a 15n/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)
BDBM50027722
PNG
(CHEMBL24814 | [(3-Chloro-phenyl)-(3-mercapto-2-met...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO3S/c1-8(7-18)12(17)14(6-11(15)16)10-4-2-3-9(13)5-10/h2-5,8,18H,6-7H2,1H3,(H,15,16)
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n/an/a 16n/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)
BDBM50367156
PNG
(CHEMBL1744327)
Show SMILES CC(CS)C(=O)N1C(Cc2cc(C)ccc12)C(O)=O
Show InChI InChI=1S/C14H17NO3S/c1-8-3-4-11-10(5-8)6-12(14(17)18)15(11)13(16)9(2)7-19/h3-5,9,12,19H,6-7H2,1-2H3,(H,17,18)
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n/an/a 19n/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)
BDBM50367158
PNG
(CHEMBL1744320)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C18H25NO3S/c1-13(12-23)18(22)19(11-17(20)21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16,23H,7-12H2,1H3,(H,20,21)
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n/an/a 19n/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)
BDBM50367161
PNG
(CHEMBL1744326)
Show SMILES CC(CS)C(=O)N(CC(O)=O)SC1CCCC1
Show InChI InChI=1S/C11H19NO3S2/c1-8(7-16)11(15)12(6-10(13)14)17-9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
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n/an/a 19n/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)
BDBM50021523
PNG
((S,S) 2-(3-Mercapto-2-methyl-propionyl)-1,2,3,4-te...)
Show SMILES CC(CS)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-11-5-3-2-4-10(11)6-12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Lactobacillus casei


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)
BDBM50367148
PNG
(CHEMBL1744336)
Show SMILES CC(CS)C(=O)N1C(Cc2cc(O)ccc12)C(O)=O
Show InChI InChI=1S/C13H15NO4S/c1-7(6-19)12(16)14-10-3-2-9(15)4-8(10)5-11(14)13(17)18/h2-4,7,11,15,19H,5-6H2,1H3,(H,17,18)
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n/an/a 20n/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)
BDBM50367153
PNG
(CHEMBL1744324)
Show SMILES COc1ccc2N(C(Cc2c1)C(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C14H17NO4S/c1-8(7-20)13(16)15-11-4-3-10(19-2)5-9(11)6-12(15)14(17)18/h3-5,8,12,20H,6-7H2,1-2H3,(H,17,18)
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n/an/a 23n/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)
BDBM50021790
PNG
((S,S)1-(3-Mercapto-2-methyl-propionyl)-2,3-dihydro...)
Show SMILES CC(CS)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C13H15NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)
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n/an/a 23n/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)
BDBM50027698
PNG
(CHEMBL23534 | [(3-Mercapto-2-methyl-propionyl)-(4-...)
Show SMILES CCCOc1ccc(cc1)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C15H21NO4S/c1-3-8-20-13-6-4-12(5-7-13)16(9-14(17)18)15(19)11(2)10-21/h4-7,11,21H,3,8-10H2,1-2H3,(H,17,18)
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n/an/a 23n/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)
BDBM50367165
PNG
(CHEMBL1744337)
Show SMILES CC(CS)C(=O)N1C(Cc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C13H14ClNO3S/c1-7(6-19)12(16)15-10-3-2-9(14)4-8(10)5-11(15)13(17)18/h2-4,7,11,19H,5-6H2,1H3,(H,17,18)
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n/an/a 25n/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)
BDBM50027714
PNG
(CHEMBL23555 | Diastereomer-1-(3-Mercapto-2-methyl-...)
Show SMILES CC(CS)C(=O)N1C(CCc2ccccc12)C(O)=O
Show InChI InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-11-5-3-2-4-10(11)6-7-12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)
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n/an/a 25n/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)
BDBM50367162
PNG
(CHEMBL1744335)
Show SMILES CC(CS)C(=O)N1C(Cc2cc3OCOc3cc12)C(O)=O
Show InChI InChI=1S/C14H15NO5S/c1-7(5-21)13(16)15-9-4-12-11(19-6-20-12)3-8(9)2-10(15)14(17)18/h3-4,7,10,21H,2,5-6H2,1H3,(H,17,18)
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n/an/a 26n/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)
BDBM50027701
PNG
(2-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-isoqui...)
Show SMILES OC(=O)C1Cc2ccccc2CN1C(=O)CCS
Show InChI InChI=1S/C13H15NO3S/c15-12(5-6-18)14-8-10-4-2-1-3-9(10)7-11(14)13(16)17/h1-4,11,18H,5-8H2,(H,16,17)
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n/an/a 27n/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)
BDBM50367151
PNG
(CHEMBL1744317)
Show SMILES CCOc1ccc(cc1OCC)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C16H23NO5S/c1-4-21-13-7-6-12(8-14(13)22-5-2)17(9-15(18)19)16(20)11(3)10-23/h6-8,11,23H,4-5,9-10H2,1-3H3,(H,18,19)
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n/an/a 30n/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)
BDBM50027690
PNG
(CHEMBL22652 | [(3-Mercapto-propionyl)-phenyl-amino...)
Show SMILES OC(=O)CN(C(=O)CCS)c1ccccc1
Show InChI InChI=1S/C11H13NO3S/c13-10(6-7-16)12(8-11(14)15)9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,14,15)
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n/an/a 30n/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)
BDBM50367152
PNG
(CHEMBL1744331)
Show SMILES CCC(CC)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C11H21NO3S/c1-4-9(5-2)12(6-10(13)14)11(15)8(3)7-16/h8-9,16H,4-7H2,1-3H3,(H,13,14)
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n/an/a 34n/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)
BDBM50027691
PNG
(6-Fluoro-2-(3-mercapto-propionyl)-1,2,3,4-tetrahyd...)
Show SMILES OC(=O)C1Cc2cc(F)ccc2CN1C(=O)CCS
Show InChI InChI=1S/C13H14FNO3S/c14-10-2-1-8-7-15(12(16)3-4-19)11(13(17)18)6-9(8)5-10/h1-2,5,11,19H,3-4,6-7H2,(H,17,18)
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n/an/a 36n/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)
BDBM50027725
PNG
(CHEMBL23251 | [(3-Mercapto-2-methyl-propionyl)-(4-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H19NO4S/c1-13(12-24)18(22)19(11-17(20)21)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13,24H,11-12H2,1H3,(H,20,21)
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n/an/a 42n/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)
BDBM50367147
PNG
(CHEMBL1744330)
Show SMILES CC(CS)C(=O)N(CC1CCCCC1)CC(O)=O
Show InChI InChI=1S/C13H23NO3S/c1-10(9-18)13(17)14(8-12(15)16)7-11-5-3-2-4-6-11/h10-11,18H,2-9H2,1H3,(H,15,16)
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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)
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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n/an/a 56n/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)
BDBM50027703
PNG
((3-Mercapto-propionylamino)-phenyl-acetic acid | C...)
Show SMILES OC(=O)C(NC(=O)CCS)c1ccccc1
Show InChI InChI=1S/C11H13NO3S/c13-9(6-7-16)12-10(11(14)15)8-4-2-1-3-5-8/h1-5,10,16H,6-7H2,(H,12,13)(H,14,15)
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n/an/a 64n/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)
BDBM50027715
PNG
(CHEMBL25771 | [(4-Benzyloxy-phenyl)-(3-mercapto-2-...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H21NO4S/c1-14(13-25)19(23)20(11-18(21)22)16-7-9-17(10-8-16)24-12-15-5-3-2-4-6-15/h2-10,14,25H,11-13H2,1H3,(H,21,22)
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n/an/a 66n/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)
BDBM50367154
PNG
(CHEMBL1744322)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C16H25NO3S/c1-9(8-21)16(20)17(7-14(18)19)15-12-3-10-2-11(5-12)6-13(15)4-10/h9-13,15,21H,2-8H2,1H3,(H,18,19)
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n/an/a 87n/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)
BDBM50027705
PNG
(CHEMBL23098 | [(2,4-Dimethoxy-phenyl)-(3-mercapto-...)
Show SMILES COc1ccc(N(CC(O)=O)C(=O)CCS)c(OC)c1
Show InChI InChI=1S/C13H17NO5S/c1-18-9-3-4-10(11(7-9)19-2)14(8-13(16)17)12(15)5-6-20/h3-4,7,20H,5-6,8H2,1-2H3,(H,16,17)
MMDB

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n/an/a 93n/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
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