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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50034781   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM50283642
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-methyl-2-[((R)-phosph...)
Show SMILES CC[C@@H](C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O6P/c1-3-15(2)20(23-14-31(28,29)30)21(25)24-19(22(26)27)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19-20,23H,3,13-14H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t15-,19+,20+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283637
PNG
(2-{(S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-1-oxo-2-(ph...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H36N3O8P/c1-19(2)27(31-18-42(39,40)41)29(36)32-25(16-20-8-12-23(13-9-20)22-6-4-3-5-7-22)28(35)33-26(30(37)38)17-21-10-14-24(34)15-11-21/h3-15,19,25-27,31,34H,16-18H2,1-2H3,(H,32,36)(H,33,35)(H,37,38)(H2,39,40,41)/t25-,26-,27-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(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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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50283634
PNG
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-methyl-2-(phosphono...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H24N3O6P/c1-10(2)15(19-9-27(24,25)26)16(21)20-14(17(22)23)7-11-8-18-13-6-4-3-5-12(11)13/h3-6,8,10,14-15,18-19H,7,9H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283640
PNG
((S)-3-(4-Isopropoxy-phenyl)-2-[(S)-3-methyl-2-(pho...)
Show SMILES CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H](NCP(O)(O)=O)C(C)C)C(O)=O)cc1
Show InChI InChI=1S/C18H29N2O7P/c1-11(2)16(19-10-28(24,25)26)17(21)20-15(18(22)23)9-13-5-7-14(8-6-13)27-12(3)4/h5-8,11-12,15-16,19H,9-10H2,1-4H3,(H,20,21)(H,22,23)(H2,24,25,26)/t15-,16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 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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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50283653
PNG
(1-{(S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-1-oxo-2-(ph...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
Show InChI InChI=1S/C26H34N3O8P/c1-16(2)23(27-15-38(35,36)37)24(31)28-21(25(32)29-14-20(30)13-22(29)26(33)34)12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20-23,27,30H,12-15H2,1-2H3,(H,28,31)(H,33,34)(H2,35,36,37)/t20-,21+,22+,23+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283650
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-biphenyl-4-yl-2-(phos...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C31H31N2O6P/c34-30(33-29(31(35)36)20-23-13-17-27(18-14-23)25-9-5-2-6-10-25)28(32-21-40(37,38)39)19-22-11-15-26(16-12-22)24-7-3-1-4-8-24/h1-18,28-29,32H,19-21H2,(H,33,34)(H,35,36)(H2,37,38,39)/t28-,29-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283658
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-((S)-1-carboxy-ethyla...)
Show SMILES CC[C@H](C)C(N[C@@H](C)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N2O5/c1-4-15(2)21(25-16(3)23(28)29)22(27)26-20(24(30)31)14-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,15-16,20-21,25H,4,14H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t15-,16-,20-,21?/m0/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283656
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-((S)-1-carboxy-ethyla...)
Show SMILES CC(C)[C@H](N[C@@H](C)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-14(2)20(24-15(3)22(27)28)21(26)25-19(23(29)30)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-20,24H,13H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283648
PNG
((S)-2-[(S)-3-Methyl-2-(phosphonomethyl-amino)-buty...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H25N2O6P/c1-11(2)14(17-10-25(22,23)24)15(19)18-13(16(20)21)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,19)(H,20,21)(H2,22,23,24)/t13-,14-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283657
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-cyclohexyl-2-(phospho...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NCP(O)(O)=O)C1CCCCC1
Show InChI InChI=1S/C24H31N2O6P/c27-23(22(25-16-33(30,31)32)20-9-5-2-6-10-20)26-21(24(28)29)15-17-11-13-19(14-12-17)18-7-3-1-4-8-18/h1,3-4,7-8,11-14,20-22,25H,2,5-6,9-10,15-16H2,(H,26,27)(H,28,29)(H2,30,31,32)/t21-,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283649
PNG
((S)-3-(4-Cyclohexyl-phenyl)-2-[(S)-3-methyl-2-(pho...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h8-11,14,16,18-19,22H,3-7,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283652
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-phenyl-2-(phosphonome...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C25H27N2O6P/c28-24(22(26-17-34(31,32)33)15-18-7-3-1-4-8-18)27-23(25(29)30)16-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14,22-23,26H,15-17H2,(H,27,28)(H,29,30)(H2,31,32,33)/t22-,23-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283635
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES CCCC[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O6P/c1-2-3-9-19(23-15-31(28,29)30)21(25)24-20(22(26)27)14-16-10-12-18(13-11-16)17-7-5-4-6-8-17/h4-8,10-13,19-20,23H,2-3,9,14-15H2,1H3,(H,24,25)(H,26,27)(H2,28,29,30)/t19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283644
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-phenyl-2-((R)-1-phosp...)
Show SMILES C[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C26H29N2O6P/c1-18(35(32,33)34)27-23(16-19-8-4-2-5-9-19)25(29)28-24(26(30)31)17-20-12-14-22(15-13-20)21-10-6-3-7-11-21/h2-15,18,23-24,27H,16-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t18-,23+,24+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283645
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-phenyl-2-[((R)-phosph...)
Show SMILES C[C@@H]([C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C26H29N2O6P/c1-18(20-8-4-2-5-9-20)24(27-17-35(32,33)34)25(29)28-23(26(30)31)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18,23-24,27H,16-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t18-,23+,24+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283631
PNG
((S)-2-[(S)-3-Benzo[1,3]dioxol-5-yl-2-(phosphonomet...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2OCOc2c1)NCP(O)(O)=O
Show InChI InChI=1S/C26H27N2O8P/c29-25(21(27-15-37(32,33)34)13-18-8-11-23-24(14-18)36-16-35-23)28-22(26(30)31)12-17-6-9-20(10-7-17)19-4-2-1-3-5-19/h1-11,14,21-22,27H,12-13,15-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t21-,22-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283642
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-methyl-2-[((R)-phosph...)
Show SMILES CC[C@@H](C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O6P/c1-3-15(2)20(23-14-31(28,29)30)21(25)24-19(22(26)27)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19-20,23H,3,13-14H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t15-,19+,20+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283639
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-naphthalen-2-yl-2-(ph...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NCP(O)(O)=O
Show InChI InChI=1S/C29H29N2O6P/c32-28(26(30-19-38(35,36)37)18-21-12-15-23-8-4-5-9-25(23)16-21)31-27(29(33)34)17-20-10-13-24(14-11-20)22-6-2-1-3-7-22/h1-16,26-27,30H,17-19H2,(H,31,32)(H,33,34)(H2,35,36,37)/t26-,27-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283660
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(carboxymethyl-amino)...)
Show SMILES CC[C@H](C)C(NCC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-3-15(2)21(24-14-20(26)27)22(28)25-19(23(29)30)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,21,24H,3,13-14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t15-,19-,21?/m0/s1
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n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283632
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1cccs1)NCP(O)(O)=O
Show InChI InChI=1S/C23H25N2O6PS/c26-22(20(24-15-32(29,30)31)14-19-7-4-12-33-19)25-21(23(27)28)13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-12,20-21,24H,13-15H2,(H,25,26)(H,27,28)(H2,29,30,31)/t20-,21-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283640
PNG
((S)-3-(4-Isopropoxy-phenyl)-2-[(S)-3-methyl-2-(pho...)
Show SMILES CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H](NCP(O)(O)=O)C(C)C)C(O)=O)cc1
Show InChI InChI=1S/C18H29N2O7P/c1-11(2)16(19-10-28(24,25)26)17(21)20-15(18(22)23)9-13-5-7-14(8-6-13)27-12(3)4/h5-8,11-12,15-16,19H,9-10H2,1-4H3,(H,20,21)(H,22,23)(H2,24,25,26)/t15-,16-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283641
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES Cc1ccccc1C[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O6P/c1-18-7-5-6-10-22(18)16-23(27-17-35(32,33)34)25(29)28-24(26(30)31)15-19-11-13-21(14-12-19)20-8-3-2-4-9-20/h2-14,23-24,27H,15-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t23-,24-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283648
PNG
((S)-2-[(S)-3-Methyl-2-(phosphonomethyl-amino)-buty...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H25N2O6P/c1-11(2)14(17-10-25(22,23)24)15(19)18-13(16(20)21)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,19)(H,20,21)(H2,22,23,24)/t13-,14-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283652
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-phenyl-2-(phosphonome...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C25H27N2O6P/c28-24(22(26-17-34(31,32)33)15-18-7-3-1-4-8-18)27-23(25(29)30)16-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14,22-23,26H,15-17H2,(H,27,28)(H,29,30)(H2,31,32,33)/t22-,23-/m0/s1
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n/an/a 117n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283649
PNG
((S)-3-(4-Cyclohexyl-phenyl)-2-[(S)-3-methyl-2-(pho...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H33N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h8-11,14,16,18-19,22H,3-7,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283645
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-phenyl-2-[((R)-phosph...)
Show SMILES C[C@@H]([C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C26H29N2O6P/c1-18(20-8-4-2-5-9-20)24(27-17-35(32,33)34)25(29)28-23(26(30)31)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18,23-24,27H,16-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t18-,23+,24+/m1/s1
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n/an/a 138n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283631
PNG
((S)-2-[(S)-3-Benzo[1,3]dioxol-5-yl-2-(phosphonomet...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2OCOc2c1)NCP(O)(O)=O
Show InChI InChI=1S/C26H27N2O8P/c29-25(21(27-15-37(32,33)34)13-18-8-11-23-24(14-18)36-16-35-23)28-22(26(30)31)12-17-6-9-20(10-7-17)19-4-2-1-3-5-19/h1-11,14,21-22,27H,12-13,15-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t21-,22-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283661
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-(2-methoxy-phenyl)-2-...)
Show SMILES COc1ccccc1C[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O7P/c1-35-24-10-6-5-9-21(24)16-22(27-17-36(32,33)34)25(29)28-23(26(30)31)15-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14,22-23,27H,15-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283658
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-((S)-1-carboxy-ethyla...)
Show SMILES CC[C@H](C)C(N[C@@H](C)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N2O5/c1-4-15(2)21(25-16(3)23(28)29)22(27)26-20(24(30)31)14-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,15-16,20-21,25H,4,14H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t15-,16-,20-,21?/m0/s1
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n/an/a 165n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283644
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-phenyl-2-((R)-1-phosp...)
Show SMILES C[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C26H29N2O6P/c1-18(35(32,33)34)27-23(16-19-8-4-2-5-9-19)25(29)28-24(26(30)31)17-20-12-14-22(15-13-20)21-10-6-3-7-11-21/h2-15,18,23-24,27H,16-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t18-,23+,24+/m1/s1
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n/an/a 171n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283660
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(carboxymethyl-amino)...)
Show SMILES CC[C@H](C)C(NCC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-3-15(2)21(24-14-20(26)27)22(28)25-19(23(29)30)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,21,24H,3,13-14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t15-,19-,21?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283636
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-(4-hydroxy-phenyl)-2-...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NCP(O)(O)=O
Show InChI InChI=1S/C25H27N2O7P/c28-21-12-8-18(9-13-21)14-22(26-16-35(32,33)34)24(29)27-23(25(30)31)15-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-13,22-23,26,28H,14-16H2,(H,27,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283634
PNG
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-methyl-2-(phosphono...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H24N3O6P/c1-10(2)15(19-9-27(24,25)26)16(21)20-14(17(22)23)7-11-8-18-13-6-4-3-5-12(11)13/h3-6,8,10,14-15,18-19H,7,9H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283639
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-naphthalen-2-yl-2-(ph...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NCP(O)(O)=O
Show InChI InChI=1S/C29H29N2O6P/c32-28(26(30-19-38(35,36)37)18-21-12-15-23-8-4-5-9-25(23)16-21)31-27(29(33)34)17-20-10-13-24(14-11-20)22-6-2-1-3-7-22/h1-16,26-27,30H,17-19H2,(H,31,32)(H,33,34)(H2,35,36,37)/t26-,27-/m0/s1
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n/an/a 282n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283655
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-(4-chloro-phenyl)-2-(...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NCP(O)(O)=O
Show InChI InChI=1S/C25H26ClN2O6P/c26-21-12-8-18(9-13-21)14-22(27-16-35(32,33)34)24(29)28-23(25(30)31)15-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-13,22-23,27H,14-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 338n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283647
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-4-methyl-2-(phosphonome...)
Show SMILES CC(C)C[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O6P/c1-15(2)12-19(23-14-31(28,29)30)21(25)24-20(22(26)27)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,23H,12-14H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t19-,20-/m0/s1
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n/an/a 356n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283632
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1cccs1)NCP(O)(O)=O
Show InChI InChI=1S/C23H25N2O6PS/c26-22(20(24-15-32(29,30)31)14-19-7-4-12-33-19)25-21(23(27)28)13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-12,20-21,24H,13-15H2,(H,25,26)(H,27,28)(H2,29,30,31)/t20-,21-/m0/s1
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n/an/a 385n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283650
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-biphenyl-4-yl-2-(phos...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C31H31N2O6P/c34-30(33-29(31(35)36)20-23-13-17-27(18-14-23)25-9-5-2-6-10-25)28(32-21-40(37,38)39)19-22-11-15-26(16-12-22)24-7-3-1-4-8-24/h1-18,28-29,32H,19-21H2,(H,33,34)(H,35,36)(H2,37,38,39)/t28-,29-/m0/s1
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n/an/a 414n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283655
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-(4-chloro-phenyl)-2-(...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NCP(O)(O)=O
Show InChI InChI=1S/C25H26ClN2O6P/c26-21-12-8-18(9-13-21)14-22(27-16-35(32,33)34)24(29)28-23(25(30)31)15-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-13,22-23,27H,14-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 473n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283641
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES Cc1ccccc1C[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O6P/c1-18-7-5-6-10-22(18)16-23(27-17-35(32,33)34)25(29)28-24(26(30)31)15-19-11-13-21(14-12-19)20-8-3-2-4-9-20/h2-14,23-24,27H,15-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t23-,24-/m0/s1
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n/an/a 498n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283633
PNG
((S)-2-{(S)-3-Benzyloxy-2-[((S)-phosphonomethyl)-am...)
Show SMILES C[C@H](OCc1ccccc1)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O7P/c1-19(36-17-21-8-4-2-5-9-21)25(28-18-37(33,34)35)26(30)29-24(27(31)32)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19,24-25,28H,16-18H2,1H3,(H,29,30)(H,31,32)(H2,33,34,35)/t19-,24-,25-/m0/s1
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n/an/a 656n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283659
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES C[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H23N2O6P/c1-13(20-12-28(25,26)27)18(22)21-17(19(23)24)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17,20H,11-12H2,1H3,(H,21,22)(H,23,24)(H2,25,26,27)/t13-,17-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283646
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-hydroxy-2-[((S)-phosp...)
Show SMILES C[C@H](O)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H25N2O7P/c1-13(23)18(21-12-30(27,28)29)19(24)22-17(20(25)26)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17-18,21,23H,11-12H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/t13-,17-,18-/m0/s1
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n/an/a 665n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme 2


(Homo sapiens (Human))
BDBM50283635
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-(phosphonomethyl-amin...)
Show SMILES CCCC[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O6P/c1-2-3-9-19(23-15-31(28,29)30)21(25)24-20(22(26)27)14-16-10-12-18(13-11-16)17-7-5-4-6-8-17/h4-8,10-13,19-20,23H,2-3,9,14-15H2,1H3,(H,24,25)(H,26,27)(H2,28,29,30)/t19-,20-/m0/s1
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n/an/a 731n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283656
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-2-((S)-1-carboxy-ethyla...)
Show SMILES CC(C)[C@H](N[C@@H](C)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-14(2)20(24-15(3)22(27)28)21(26)25-19(23(29)30)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-20,24H,13H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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n/an/a 735n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283654
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-(1H-imidazol-4-yl)-2-...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NCP(O)(O)=O
Show InChI InChI=1S/C22H25N4O6P/c27-21(19(25-14-33(30,31)32)11-18-12-23-13-24-18)26-20(22(28)29)10-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12-13,19-20,25H,10-11,14H2,(H,23,24)(H,26,27)(H,28,29)(H2,30,31,32)/t19-,20-/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 concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
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