Found 14 hits Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 2 (ECE-2)' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50251742
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1 | PDB
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| Article
PubMed
| 1.20 | n/a | 2.33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM92503
((2S)-2-[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-3-sulfa...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)C1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18?,19-,21+/m1/s1 | PDB
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| Article
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| 7.70 | n/a | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM92502
((2S)-2-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-su...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12 |r| Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18?,19?,21-/m0/s1 | PDB
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| PC cid
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| 22.3 | n/a | 43.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM92500
(Kelatorphan)Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1 | PDB
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| Article
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| 195 | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM92501
(Retrothiorphan)Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16) | PDB
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| >1.00E+4 | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM21641
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15) | PDB
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| >1.00E+5 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)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 | PDB
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| Article
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| >1.00E+5 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description
Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM231638
(SM19712)Show SMILES Cc1[nH]nc(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1C#N Show InChI InChI=1S/C12H10ClN5O3S/c1-7-10(6-14)11(17-16-7)15-12(19)18-22(20,21)9-4-2-8(13)3-5-9/h2-5H,1H3,(H3,15,16,17,18,19)/p-1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Icahn School of Medicine at Mount Sinai
| Assay Description
Recombinant ECE2 (32.5 ng) with a specific activity of 12 pmol/min/μg protein was generated as described previously. Secreted soluble recombinan... |
J Biol Chem 289: 19613-26 (2014)
Article DOI: 10.1074/jbc.M113.537704
BindingDB Entry DOI: 10.7270/Q2VD6XBF |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50271179
(2-(2-(quinolin-2-yl)vinyl)phenol | CHEMBL487942 | ...)Show InChI InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10- | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Icahn School of Medicine at Mount Sinai
| Assay Description
Recombinant ECE2 (32.5 ng) with a specific activity of 12 pmol/min/μg protein was generated as described previously. Secreted soluble recombinan... |
J Biol Chem 289: 19613-26 (2014)
Article DOI: 10.1074/jbc.M113.537704
BindingDB Entry DOI: 10.7270/Q2VD6XBF |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50271179
(2-(2-(quinolin-2-yl)vinyl)phenol | CHEMBL487942 | ...)Show InChI InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10- | PDB
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| CHEMBL
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| n/a | n/a | 4.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mount Sinai School of Medicine
Curated by ChEMBL
| Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis |
J Med Chem 51: 3378-87 (2008)
Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5 |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50271178
(1-(pyrrolidin-1-yl)-2-(quinoxalin-6-yl)ethanone | ...)Show InChI InChI=1S/C14H15N3O/c18-14(17-7-1-2-8-17)10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9H,1-2,7-8,10H2 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mount Sinai School of Medicine
Curated by ChEMBL
| Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis |
J Med Chem 51: 3378-87 (2008)
Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5 |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50001270
(2-(2-(quinolin-2-yl)vinyl)phenol | 2-(2-Quinolin-2...)Show InChI InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10+ | PDB
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| n/a | n/a | 6.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mount Sinai School of Medicine
Curated by ChEMBL
| Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis |
J Med Chem 51: 3378-87 (2008)
Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5 |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50271180
(2-(2-hydroxy-3-methoxystyryl)quinolin-8-ol | CHEMB...)Show InChI InChI=1S/C18H15NO3/c1-22-16-7-3-5-13(18(16)21)9-11-14-10-8-12-4-2-6-15(20)17(12)19-14/h2-11,20-21H,1H3/b11-9+ | PDB
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| n/a | n/a | 3.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mount Sinai School of Medicine
Curated by ChEMBL
| Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis |
J Med Chem 51: 3378-87 (2008)
Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5 |
More data for this
Ligand-Target Pair | |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM50271181
(2-(3-methoxystyryl)quinolin-8-ol | CHEMBL488140 | ...)Show InChI InChI=1S/C18H15NO2/c1-21-16-6-2-4-13(12-16)8-10-15-11-9-14-5-3-7-17(20)18(14)19-15/h2-12,20H,1H3/b10-8+ | PDB
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| n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mount Sinai School of Medicine
Curated by ChEMBL
| Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis |
J Med Chem 51: 3378-87 (2008)
Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5 |
More data for this
Ligand-Target Pair | |
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