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Compile Data Set for Download or QSAR

Found 26 hits from Dipartimento di Chimica   
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


(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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n/an/a 0.120n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Sus scrofa)
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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n/an/a 6.20n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(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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n/an/a 17n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50046261
PNG
(2-(3-Mercapto-5-methyl-hexanoylamino)-3-phenyl-pro...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 41n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50046258
PNG
(3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)
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n/an/a 50n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50298107
PNG
(3-(4-Hydroxy-phenyl)-2-(4,4,4-trifluoro-3-mercapto...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO4S/c14-13(15,16)10(22)6-11(19)17-9(12(20)21)5-7-1-3-8(18)4-2-7/h1-4,9-10,18,22H,5-6H2,(H,17,19)(H,20,21)
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n/an/a 80n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50298107
PNG
(3-(4-Hydroxy-phenyl)-2-(4,4,4-trifluoro-3-mercapto...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO4S/c14-13(15,16)10(22)6-11(19)17-9(12(20)21)5-7-1-3-8(18)4-2-7/h1-4,9-10,18,22H,5-6H2,(H,17,19)(H,20,21)
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n/an/a 160n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50298108
PNG
(3-(4-Fluoro-phenyl)-2-(4,4,4-trifluoro-3-mercapto-...)
Show SMILES OC(=O)C(Cc1ccc(F)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H13F4NO3S/c14-8-3-1-7(2-4-8)5-9(12(20)21)18-11(19)6-10(22)13(15,16)17/h1-4,9-10,22H,5-6H2,(H,18,19)(H,20,21)
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n/an/a 230n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50298111
PNG
(3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluor...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)18(33)12-19(29)26-16(10-13-4-2-1-3-5-13)20(30)27-17(21(31)32)11-14-6-8-15(28)9-7-14/h1-9,16-18,28,33H,10-12H2,(H,26,29)(H,27,30)(H,31,32)
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n/an/a 280n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50298108
PNG
(3-(4-Fluoro-phenyl)-2-(4,4,4-trifluoro-3-mercapto-...)
Show SMILES OC(=O)C(Cc1ccc(F)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H13F4NO3S/c14-8-3-1-7(2-4-8)5-9(12(20)21)18-11(19)6-10(22)13(15,16)17/h1-4,9-10,22H,5-6H2,(H,18,19)(H,20,21)
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n/an/a 300n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50298106
PNG
(3-phenyl-2-(4,4,4-trifluoro-3-mercaptobutanamido)p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO3S/c14-13(15,16)10(21)7-11(18)17-9(12(19)20)6-8-4-2-1-3-5-8/h1-5,9-10,21H,6-7H2,(H,17,18)(H,19,20)
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n/an/a 300n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50298109
PNG
(3-(1H-Indol-3-yl)-2-(4,4,4-trifluoro-3-mercapto-bu...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O3S/c16-15(17,18)12(24)6-13(21)20-11(14(22)23)5-8-7-19-10-4-2-1-3-9(8)10/h1-4,7,11-12,19,24H,5-6H2,(H,20,21)(H,22,23)
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n/an/a 400n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50298111
PNG
(3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluor...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)18(33)12-19(29)26-16(10-13-4-2-1-3-5-13)20(30)27-17(21(31)32)11-14-6-8-15(28)9-7-14/h1-9,16-18,28,33H,10-12H2,(H,26,29)(H,27,30)(H,31,32)
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n/an/a 430n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50298109
PNG
(3-(1H-Indol-3-yl)-2-(4,4,4-trifluoro-3-mercapto-bu...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O3S/c16-15(17,18)12(24)6-13(21)20-11(14(22)23)5-8-7-19-10-4-2-1-3-9(8)10/h1-4,7,11-12,19,24H,5-6H2,(H,20,21)(H,22,23)
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n/an/a 580n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50298106
PNG
(3-phenyl-2-(4,4,4-trifluoro-3-mercaptobutanamido)p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO3S/c14-13(15,16)10(21)7-11(18)17-9(12(19)20)6-8-4-2-1-3-5-8/h1-5,9-10,21H,6-7H2,(H,17,18)(H,19,20)
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n/an/a 830n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50298110
PNG
(2-(4,4,5,5,5-Pentafluoro-3-mercapto-pentanoylamino...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C14H14F5NO3S/c15-13(16,14(17,18)19)10(24)7-11(21)20-9(12(22)23)6-8-4-2-1-3-5-8/h1-5,9-10,24H,6-7H2,(H,20,21)(H,22,23)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Neprilysin


(Sus scrofa)
BDBM50298110
PNG
(2-(4,4,5,5,5-Pentafluoro-3-mercapto-pentanoylamino...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C14H14F5NO3S/c15-13(16,14(17,18)19)10(24)7-11(21)20-9(12(22)23)6-8-4-2-1-3-5-8/h1-5,9-10,24H,6-7H2,(H,20,21)(H,22,23)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50298110
PNG
(2-(4,4,5,5,5-Pentafluoro-3-mercapto-pentanoylamino...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C14H14F5NO3S/c15-13(16,14(17,18)19)10(24)7-11(21)20-9(12(22)23)6-8-4-2-1-3-5-8/h1-5,9-10,24H,6-7H2,(H,20,21)(H,22,23)
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n/an/a 2.42E+3n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50046258
PNG
(3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50298111
PNG
(3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluor...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)18(33)12-19(29)26-16(10-13-4-2-1-3-5-13)20(30)27-17(21(31)32)11-14-6-8-15(28)9-7-14/h1-9,16-18,28,33H,10-12H2,(H,26,29)(H,27,30)(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50298108
PNG
(3-(4-Fluoro-phenyl)-2-(4,4,4-trifluoro-3-mercapto-...)
Show SMILES OC(=O)C(Cc1ccc(F)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H13F4NO3S/c14-8-3-1-7(2-4-8)5-9(12(20)21)18-11(19)6-10(22)13(15,16)17/h1-4,9-10,22H,5-6H2,(H,18,19)(H,20,21)
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Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046261
PNG
(2-(3-Mercapto-5-methyl-hexanoylamino)-3-phenyl-pro...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)
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Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50046261
PNG
(2-(3-Mercapto-5-methyl-hexanoylamino)-3-phenyl-pro...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)
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Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50298109
PNG
(3-(1H-Indol-3-yl)-2-(4,4,4-trifluoro-3-mercapto-bu...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O3S/c16-15(17,18)12(24)6-13(21)20-11(14(22)23)5-8-7-19-10-4-2-1-3-9(8)10/h1-4,7,11-12,19,24H,5-6H2,(H,20,21)(H,22,23)
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Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50298106
PNG
(3-phenyl-2-(4,4,4-trifluoro-3-mercaptobutanamido)p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO3S/c14-13(15,16)10(21)7-11(18)17-9(12(19)20)6-8-4-2-1-3-5-8/h1-5,9-10,21H,6-7H2,(H,17,18)(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50298107
PNG
(3-(4-Hydroxy-phenyl)-2-(4,4,4-trifluoro-3-mercapto...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO4S/c14-13(15,16)10(22)6-11(19)17-9(12(20)21)5-7-1-3-8(18)4-2-7/h1-4,9-10,18,22H,5-6H2,(H,17,19)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair