Found 15 hits of Enzyme Inhibition Constant Data 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 |
|---|
Neprilysin
(Homo sapiens (Human)) | BDBM50287299
((2S,4S)-5-Biphenyl-4-yl-4-(4-carboxymethyl-thiazol...)Show SMILES OC(=O)Cc1csc(NC(=O)[C@@H](C[C@@H](COc2ccccc2)C(O)=O)Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C30H28N2O6S/c33-27(34)17-25-19-39-30(31-25)32-28(35)23(16-24(29(36)37)18-38-26-9-5-2-6-10-26)15-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-14,19,23-24H,15-18H2,(H,33,34)(H,36,37)(H,31,32,35)/t23-,24+/m1/s1 | PDB
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| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50286906
((2S,4S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl...)Show SMILES OC(=O)CNC(=O)[C@@H](C[C@@H](COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H27NO6/c29-25(30)17-28-26(31)22(16-23(27(32)33)18-34-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,23+/m1/s1 | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287301
((2R,4S)-5-Biphenyl-4-yl-4-(4-carboxymethyl-thiazol...)Show SMILES OC(=O)Cc1csc(NC(=O)[C@@H](C[C@H](COc2ccccc2)C(O)=O)Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C30H28N2O6S/c33-27(34)17-25-19-39-30(31-25)32-28(35)23(16-24(29(36)37)18-38-26-9-5-2-6-10-26)15-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-14,19,23-24H,15-18H2,(H,33,34)(H,36,37)(H,31,32,35)/t23-,24-/m1/s1 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50286908
((2R,4S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl...)Show SMILES OC(=O)CNC(=O)[C@@H](C[C@H](COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H27NO6/c29-25(30)17-28-26(31)22(16-23(27(32)33)18-34-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,23-/m1/s1 | PDB
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| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287304
((S)-5-Biphenyl-4-yl-2-phenoxymethyl-4-(1H-tetrazol...)Show SMILES OC(=O)C(COc1ccccc1)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)Nc1nnn[nH]1 Show InChI InChI=1S/C26H25N5O4/c32-24(27-26-28-30-31-29-26)21(16-22(25(33)34)17-35-23-9-5-2-6-10-23)15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,21-22H,15-17H2,(H,33,34)(H2,27,28,29,30,31,32)/t21-,22?/m1/s1 | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(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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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neprilysin
(Homo sapiens (Human)) | BDBM50287300
(2-[(S)-3-Biphenyl-4-yl-2-(4-carboxymethyl-thiazol-...)Show SMILES CCCCC(C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1)C(O)=O Show InChI InChI=1S/C27H30N2O5S/c1-2-3-7-21(26(33)34)15-22(25(32)29-27-28-23(17-35-27)16-24(30)31)14-18-10-12-20(13-11-18)19-8-5-4-6-9-19/h4-6,8-13,17,21-22H,2-3,7,14-16H2,1H3,(H,30,31)(H,33,34)(H,28,29,32)/t21?,22-/m1/s1 | PDB
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287300
(2-[(S)-3-Biphenyl-4-yl-2-(4-carboxymethyl-thiazol-...)Show SMILES CCCCC(C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1)C(O)=O Show InChI InChI=1S/C27H30N2O5S/c1-2-3-7-21(26(33)34)15-22(25(32)29-27-28-23(17-35-27)16-24(30)31)14-18-10-12-20(13-11-18)19-8-5-4-6-9-19/h4-6,8-13,17,21-22H,2-3,7,14-16H2,1H3,(H,30,31)(H,33,34)(H,28,29,32)/t21?,22-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287297
((S)-5-Biphenyl-4-yl-2-phenoxymethyl-4-[(1H-tetrazo...)Show SMILES OC(=O)C(COc1ccccc1)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCc1nnn[nH]1 Show InChI InChI=1S/C27H27N5O4/c33-26(28-17-25-29-31-32-30-25)22(16-23(27(34)35)18-36-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,33)(H,34,35)(H,29,30,31,32)/t22-,23?/m1/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287302
((S)-5-Biphenyl-4-yl-4-(4-carboxymethyl-thiazol-2-y...)Show SMILES CC(C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1)C(O)=O Show InChI InChI=1S/C24H24N2O5S/c1-15(23(30)31)11-19(22(29)26-24-25-20(14-32-24)13-21(27)28)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,14-15,19H,11-13H2,1H3,(H,27,28)(H,30,31)(H,25,26,29)/t15?,19-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50403562
(CHEMBL2062138 | UK-69578)Show SMILES COCCOCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1 |wU:19.23,16.16,(-7.72,2.65,;-6.63,1.56,;-5.54,2.65,;-4.45,1.54,;-3.34,2.63,;-2.23,1.53,;-2.23,-.01,;-.89,-.72,;.43,.09,;1.68,.98,;1.19,2.46,;-.35,2.44,;-.82,.98,;1.77,-.64,;1.84,-2.18,;3.09,.18,;4.46,-.55,;5.74,.28,;7.1,-.46,;7.16,-2,;5.85,-2.8,;4.5,-2.08,;8.51,-2.73,;8.56,-4.27,;9.82,-1.9,;-3.55,-.81,;-3.5,-2.35,;-4.9,-.07,;-6.21,-.91,;-7.57,-.17,;-8.88,-.99,;-8.84,-2.54,;-9.94,-3.63,;-9.26,-5.01,;-7.72,-4.79,;-7.46,-3.25,;-6.16,-2.45,)| Show InChI InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23?,24+ | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287303
((S)-5-Biphenyl-4-yl-4-(5-carboxymethyl-[1,3,4]thia...)Show SMILES OC(=O)Cc1nnc(NC(=O)[C@@H](CC(COc2ccccc2)C(O)=O)Cc2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C29H27N3O6S/c33-26(34)17-25-31-32-29(39-25)30-27(35)22(16-23(28(36)37)18-38-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,33,34)(H,36,37)(H,30,32,35)/t22-,23?/m1/s1 | PDB
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287305
((S)-5-Biphenyl-4-yl-4-(4-carboxymethyl-thiazol-2-y...)Show SMILES OC(=O)CC[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C23H22N2O5S/c26-20(27)11-10-18(22(30)25-23-24-19(14-31-23)13-21(28)29)12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,26,27)(H,28,29)(H,24,25,30)/t18-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287298
((S)-5-Biphenyl-4-yl-4-(4-carboxymethyl-1H-imidazol...)Show SMILES OC(=O)Cc1cnc(NC(=O)[C@@H](CC(COc2ccccc2)C(O)=O)Cc2ccc(cc2)-c2ccccc2)[nH]1 Show InChI InChI=1S/C30H29N3O6/c34-27(35)17-25-18-31-30(32-25)33-28(36)23(16-24(29(37)38)19-39-26-9-5-2-6-10-26)15-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-14,18,23-24H,15-17,19H2,(H,34,35)(H,37,38)(H2,31,32,33,36)/t23-,24?/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50287296
((S)-5-Biphenyl-4-yl-4-(1-carboxymethyl-1H-imidazol...)Show SMILES OC(=O)Cn1ccnc1NC(=O)[C@@H](CC(COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H29N3O6/c34-27(35)19-33-16-15-31-30(33)32-28(36)24(18-25(29(37)38)20-39-26-9-5-2-6-10-26)17-21-11-13-23(14-12-21)22-7-3-1-4-8-22/h1-16,24-25H,17-20H2,(H,34,35)(H,37,38)(H,31,32,36)/t24-,25?/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral Endopeptidase |
Bioorg Med Chem Lett 6: 1487-1490 (1996)
Article DOI: 10.1016/S0960-894X(96)00255-7
BindingDB Entry DOI: 10.7270/Q2B27VSQ |
More data for this
Ligand-Target Pair | |
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