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18 similar compounds to monomer 50021153

Compile data set for download or QSAR
Wt: 376.4
BDBM50021145
Wt: 362.4
BDBM50021146
Wt: 348.3
BDBM50021147
Wt: 334.3
BDBM50021149
Wt: 382.4
BDBM50021150
Wt: 412.4
BDBM50021152
Wt: 348.3
BDBM50021154
Wt: 396.4
BDBM50021127
Purchase
Wt: 452.5
BDBM50021132
Wt: 396.4
BDBM50021135
Wt: 391.4
BDBM50021139
Wt: 366.4
BDBM50021140
Wt: 363.4
BDBM50021142
Purchase
Wt: 363.4
BDBM50038596
Purchase
Wt: 407.4
BDBM50038598
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50021145,50021146,50021147,50021149,50021150,50021152,50021154,50021127,50021132,50021135,50021139,50021140,50021142,50038596,50038598   
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)
BDBM50021127
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 28: 1511-6 (1985)


Article DOI: 10.1021/jm00148a023
BindingDB Entry DOI: 10.7270/Q2BR8SRQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021127
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50038598
PNG
((S)-2-((S)-1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES OCCNCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C20H29N3O6/c24-12-11-21-10-4-3-6-16(20(28)29)22-15-9-8-14-5-1-2-7-17(14)23(19(15)27)13-18(25)26/h1-2,5,7,15-16,21-22,24H,3-4,6,8-13H2,(H,25,26)(H,28,29)/t15-,16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)


J Med Chem 37: 1823-32 (1994)


Article DOI: 10.1021/jm00038a011
BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50021132
PNG
(2-(1-Ethoxycarbonylmethyl-2-oxo-2,3,4,5-tetrahydro...)
Show SMILES CCOC(=O)CN1c2ccccc2CC[C@H](NC(CCc2ccccc2)C(=O)OCC)C1=O
Show InChI InChI=1S/C26H32N2O5/c1-3-32-24(29)18-28-23-13-9-8-12-20(23)15-17-21(25(28)30)27-22(26(31)33-4-2)16-14-19-10-6-5-7-11-19/h5-13,21-22,27H,3-4,14-18H2,1-2H3/t21-,22?/m0/s1
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme in rat


J Med Chem 28: 1517-21 (1985)


Article DOI: 10.1021/jm00148a024
BindingDB Entry DOI: 10.7270/Q2736RGG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50021135
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18?/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme in rat


J Med Chem 28: 1517-21 (1985)


Article DOI: 10.1021/jm00148a024
BindingDB Entry DOI: 10.7270/Q2736RGG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021139
PNG
(6-Amino-2-(1-carboxymethyl-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES CCOC(=O)[C@H](CCCCN)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C20H29N3O5/c1-2-28-20(27)16(8-5-6-12-21)22-15-11-10-14-7-3-4-9-17(14)23(19(15)26)13-18(24)25/h3-4,7,9,15-16,22H,2,5-6,8,10-13,21H2,1H3,(H,24,25)/t15-,16-/m0/s1
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n/an/a 40n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021140
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CSCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C17H22N2O5S/c1-25-9-8-13(17(23)24)18-12-7-6-11-4-2-3-5-14(11)19(16(12)22)10-15(20)21/h2-5,12-13,18H,6-10H2,1H3,(H,20,21)(H,23,24)/t12-,13-/m0/s1
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n/an/a 6.5n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021142
PNG
(6-Amino-2-(1-carboxymethyl-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES NCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1
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n/an/a 7n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021146
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES COC(=O)[C@H](CC(C)C)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c1-12(2)10-15(19(25)26-3)20-14-9-8-13-6-4-5-7-16(13)21(18(14)24)11-17(22)23/h4-7,12,14-15,20H,8-11H2,1-3H3,(H,22,23)/t14-,15-/m0/s1
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n/an/a 1.00E+3n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021145
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(=O)OCC
Show InChI InChI=1S/C20H28N2O5/c1-3-5-9-16(20(26)27-4-2)21-15-12-11-14-8-6-7-10-17(14)22(19(15)25)13-18(23)24/h6-8,10,15-16,21H,3-5,9,11-13H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
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n/an/a 2.60E+3n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021147
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CC(C)C[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-11(2)9-14(18(24)25)19-13-8-7-12-5-3-4-6-15(12)20(17(13)23)10-16(21)22/h3-6,11,13-14,19H,7-10H2,1-2H3,(H,21,22)(H,24,25)/t13-,14-/m0/s1
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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 Angiotensin I converting enzyme


J Med Chem 28: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021149
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C17H22N2O5/c1-2-5-13(17(23)24)18-12-9-8-11-6-3-4-7-14(11)19(16(12)22)10-15(20)21/h3-4,6-7,12-13,18H,2,5,8-10H2,1H3,(H,20,21)(H,23,24)/t12-,13-/m0/s1
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n/an/a 6n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021150
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](Cc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C21H22N2O5/c24-19(25)13-23-18-9-5-4-8-15(18)10-11-16(20(23)26)22-17(21(27)28)12-14-6-2-1-3-7-14/h1-9,16-17,22H,10-13H2,(H,24,25)(H,27,28)/t16-,17-/m0/s1
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n/an/a 8.5n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021152
PNG
(3-Benzyloxy-2-(1-carboxymethyl-2-oxo-2,3,4,5-tetra...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](COCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O6/c25-20(26)12-24-19-9-5-4-8-16(19)10-11-17(21(24)27)23-18(22(28)29)14-30-13-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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n/an/a 10n/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: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021154
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-2-3-7-14(18(24)25)19-13-10-9-12-6-4-5-8-15(12)20(17(13)23)11-16(21)22/h4-6,8,13-14,19H,2-3,7,9-11H2,1H3,(H,21,22)(H,24,25)/t13-,14-/m0/s1
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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 Angiotensin I converting enzyme


J Med Chem 28: 1603-6 (1985)


Article DOI: 10.1021/jm00149a010
BindingDB Entry DOI: 10.7270/Q2ZK5H7D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021135
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18?/m0/s1
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n/an/a 1.70n/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))
BDBM50021135
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18?/m0/s1
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n/an/a 10n/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


(Oryctolagus cuniculus)
BDBM50021127
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 28: 1511-6 (1985)


Article DOI: 10.1021/jm00148a023
BindingDB Entry DOI: 10.7270/Q2BR8SRQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021127
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 28: 1511-6 (1985)


Article DOI: 10.1021/jm00148a023
BindingDB Entry DOI: 10.7270/Q2BR8SRQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021127
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 28: 1511-6 (1985)


Article DOI: 10.1021/jm00148a023
BindingDB Entry DOI: 10.7270/Q2BR8SRQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50038596
PNG
((S)-6-Amino-2-((R)-1-carboxymethyl-2-oxo-2,3,4,5-t...)
Show SMILES NCCCC[C@H](N[C@@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)


J Med Chem 37: 1823-32 (1994)


Article DOI: 10.1021/jm00038a011
BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair