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Found 14 hits Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 2 (ECE-2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50251742
PNG
((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
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
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1.20n/a 2.33n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM92503
PNG
((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
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
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7.70n/a 15.1n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM92502
PNG
((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
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
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22.3n/a 43.4n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM92500
PNG
(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
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195n/a 380n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM92501
PNG
(Retrothiorphan)
Show SMILES OC(=O)CC(=O)NC(CS)Cc1ccccc1
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)
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>1.00E+4n/a>1.00E+4n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
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)
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>1.00E+5n/a>1.00E+5n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
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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>1.00E+5n/a>1.00E+5n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM231638
PNG
(SM19712)
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n/an/a 5n/an/an/an/a5.5n/a



Icahn School of Medicine at Mount Sinai





Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50271179
PNG
(2-(2-(quinolin-2-yl)vinyl)phenol | CHEMBL487942 | ...)
Show SMILES Oc1ccccc1\C=C/c1ccc2ccccc2n1
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-
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n/an/a 1.60E+3n/an/an/an/a5.5n/a



Icahn School of Medicine at Mount Sinai





Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50271179
PNG
(2-(2-(quinolin-2-yl)vinyl)phenol | CHEMBL487942 | ...)
Show SMILES Oc1ccccc1\C=C/c1ccc2ccccc2n1
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-
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n/an/a 4.63E+3n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50271178
PNG
(1-(pyrrolidin-1-yl)-2-(quinoxalin-6-yl)ethanone | ...)
Show SMILES O=C(Cc1ccc2nccnc2c1)N1CCCC1
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
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n/an/a 5.83E+3n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50001270
PNG
(2-(2-(quinolin-2-yl)vinyl)phenol | 2-(2-Quinolin-2...)
Show SMILES Oc1ccccc1\C=C\c1ccc2ccccc2n1
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+
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n/an/a 6.42E+3n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50271180
PNG
(2-(2-hydroxy-3-methoxystyryl)quinolin-8-ol | CHEMB...)
Show SMILES COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1O
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+
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n/an/a 3.29E+4n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM50271181
PNG
(2-(3-methoxystyryl)quinolin-8-ol | CHEMBL488140 | ...)
Show SMILES COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1
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+
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n/an/a 3.57E+4n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair