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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'leiris' and Initial = 's'   
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))
BDBM50269051
PNG
(CHEMBL4075182)
Show SMILES OC(=O)[C@H](CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccsc1 |r|
Show InChI InChI=1S/C21H24O3S2/c22-19(21(25)9-2-1-3-10-21)13-18(20(23)24)12-15-4-6-16(7-5-15)17-8-11-26-14-17/h4-8,11,14,18,25H,1-3,9-10,12-13H2,(H,23,24)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269062
PNG
(CHEMBL4091227)
Show SMILES OC(=O)[C@H](CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26O3S/c24-21(23(27)13-5-2-6-14-23)16-20(22(25)26)15-17-9-11-19(12-10-17)18-7-3-1-4-8-18/h1,3-4,7-12,20,27H,2,5-6,13-16H2,(H,25,26)/t20-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269087
PNG
(CHEMBL4080935)
Show SMILES OC(=O)C(CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C21H24O3S2/c22-19(21(25)9-2-1-3-10-21)13-18(20(23)24)12-15-4-6-16(7-5-15)17-8-11-26-14-17/h4-8,11,14,18,25H,1-3,9-10,12-13H2,(H,23,24)
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4.60n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269075
PNG
(CHEMBL4089776)
Show SMILES CC(C)CC(S)C(=O)CC(Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C19H26BrNO4S/c1-11(2)8-17(26)16(22)10-14(18(23)21-12(3)19(24)25)9-13-4-6-15(20)7-5-13/h4-7,11-12,14,17,26H,8-10H2,1-3H3,(H,21,23)(H,24,25)/t12-,14?,17?/m0/s1
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7n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269064
PNG
(CHEMBL4069278)
Show SMILES OC(=O)C(CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H26O3S/c24-21(23(27)13-5-2-6-14-23)16-20(22(25)26)15-17-9-11-19(12-10-17)18-7-3-1-4-8-18/h1,3-4,7-12,20,27H,2,5-6,13-16H2,(H,25,26)
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9n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269076
PNG
(CHEMBL4077560)
Show SMILES CC(C)CC(S)C(=O)CC(Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C25H31NO4S/c1-16(2)13-23(31)22(27)15-21(24(28)26-17(3)25(29)30)14-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,16-17,21,23,31H,13-15H2,1-3H3,(H,26,28)(H,29,30)/t17-,21?,23?/m0/s1
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12n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269043
PNG
(CHEMBL4085997)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4S/c33-27(28(37)16-21-11-5-2-6-12-21)18-22(15-20-9-3-1-4-10-20)29(34)32-26(30(35)36)17-23-19-31-25-14-8-7-13-24(23)25/h1-14,19,22,26,28,31,37H,15-18H2,(H,32,34)(H,35,36)/t22?,26-,28?/m0/s1
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18n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269069
PNG
(CHEMBL4066184)
Show SMILES CC(C)CC(S)C(=O)CC(Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C16H21BrO3S/c1-10(2)7-15(21)14(18)9-12(16(19)20)8-11-3-5-13(17)6-4-11/h3-6,10,12,15,21H,7-9H2,1-2H3,(H,19,20)
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20n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269086
PNG
(CHEMBL4075187)
Show SMILES C[C@H](NC(=O)C(CC(=O)C(S)c1ccccc1)Cc1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H22BrNO4S/c1-13(21(26)27)23-20(25)16(11-14-7-9-17(22)10-8-14)12-18(24)19(28)15-5-3-2-4-6-15/h2-10,13,16,19,28H,11-12H2,1H3,(H,23,25)(H,26,27)/t13-,16?,19?/m0/s1
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22n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50050126
PNG
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-3-p...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C18H19NO3S/c20-17(16(23)12-14-9-5-2-6-10-14)19-15(18(21)22)11-13-7-3-1-4-8-13/h1-10,15-16,23H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
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23n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269033
PNG
(CHEMBL4073385)
Show SMILES OC(=O)C(CC(=O)C1(S)Cc2ccccc2C1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H24O3S/c27-24(26(30)16-21-8-4-5-9-22(21)17-26)15-23(25(28)29)14-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,23,30H,14-17H2,(H,28,29)
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26n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269065
PNG
(CHEMBL4066384)
Show SMILES OC(=O)C(CC(=O)C1(S)CCCC1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H24O3S/c23-20(22(26)12-4-5-13-22)15-19(21(24)25)14-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,19,26H,4-5,12-15H2,(H,24,25)
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29n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269035
PNG
(CHEMBL4074531)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C30H29BrN2O4S/c31-23-12-10-20(11-13-23)14-21(17-27(34)28(38)15-19-6-2-1-3-7-19)29(35)33-26(30(36)37)16-22-18-32-25-9-5-4-8-24(22)25/h1-13,18,21,26,28,32,38H,14-17H2,(H,33,35)(H,36,37)/t21?,26-,28?/m0/s1
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30n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269088
PNG
(CHEMBL4096514)
Show SMILES OC(=O)C(CC(=O)C1(S)CCCCC1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C17H21BrO3S/c18-14-6-4-12(5-7-14)10-13(16(20)21)11-15(19)17(22)8-2-1-3-9-17/h4-7,13,22H,1-3,8-11H2,(H,20,21)
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32n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269032
PNG
(CHEMBL4094037)
Show SMILES OC(=O)C(CC(=O)C1(S)Cc2ccccc2C1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrO3S/c21-17-7-5-13(6-8-17)9-16(19(23)24)10-18(22)20(25)11-14-3-1-2-4-15(14)12-20/h1-8,16,25H,9-12H2,(H,23,24)
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36n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269063
PNG
(CHEMBL4070297)
Show SMILES OC(=O)[C@@H](CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26O3S/c24-21(23(27)13-5-2-6-14-23)16-20(22(25)26)15-17-9-11-19(12-10-17)18-7-3-1-4-8-18/h1,3-4,7-12,20,27H,2,5-6,13-16H2,(H,25,26)/t20-/m1/s1
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36n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269073
PNG
(CHEMBL4074608)
Show SMILES CC(S)C(=O)CC(Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C22H25NO4S/c1-14(22(26)27)23-21(25)19(13-20(24)15(2)28)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19,28H,12-13H2,1-2H3,(H,23,25)(H,26,27)/t14-,15?,19?/m0/s1
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40n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269044
PNG
(CHEMBL4087357)
Show SMILES C[C@H](NC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H29NO4S/c1-19(28(32)33)29-27(31)24(18-25(30)26(34)17-20-8-4-2-5-9-20)16-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,19,24,26,34H,16-18H2,1H3,(H,29,31)(H,32,33)/t19-,24?,26?/m0/s1
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46n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269050
PNG
(CHEMBL4067507)
Show SMILES OC(=O)C(CC(=O)C1(S)CCN(CC1)C(=O)c1ccccc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C23H24BrNO4S/c24-19-8-6-16(7-9-19)14-18(22(28)29)15-20(26)23(30)10-12-25(13-11-23)21(27)17-4-2-1-3-5-17/h1-9,18,30H,10-15H2,(H,28,29)
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49n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269091
PNG
(CHEMBL4086067)
Show SMILES OC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C19H19BrO3S/c20-16-8-6-14(7-9-16)10-15(19(22)23)12-17(21)18(24)11-13-4-2-1-3-5-13/h1-9,15,18,24H,10-12H2,(H,22,23)
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50n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269066
PNG
(CHEMBL4088816)
Show SMILES OC(=O)C(CC(=O)C1(S)CCCC1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C16H19BrO3S/c17-13-5-3-11(4-6-13)9-12(15(19)20)10-14(18)16(21)7-1-2-8-16/h3-6,12,21H,1-2,7-10H2,(H,19,20)
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52n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269049
PNG
(CHEMBL4102672)
Show SMILES OC(=O)C(CC(=O)C1(S)CCN(Cc2ccccc2)CC1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrNO3S/c24-20-8-6-17(7-9-20)14-19(22(27)28)15-21(26)23(29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,19,29H,10-16H2,(H,27,28)
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54n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269047
PNG
(CHEMBL4078411)
Show SMILES OC(=O)C(CC(=O)C1(S)CCNCC1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C16H20BrNO3S/c17-13-3-1-11(2-4-13)9-12(15(20)21)10-14(19)16(22)5-7-18-8-6-16/h1-4,12,18,22H,5-10H2,(H,20,21)
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54n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269048
PNG
(CHEMBL4095593)
Show SMILES OC(=O)C(CC(=O)C1(S)CCNCC1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H25NO3S/c24-20(22(27)10-12-23-13-11-22)15-19(21(25)26)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19,23,27H,10-15H2,(H,25,26)
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61n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269060
PNG
(CHEMBL4098968)
Show SMILES OC(=O)[C@@H](CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccsc1 |r|
Show InChI InChI=1S/C21H24O3S2/c22-19(21(25)9-2-1-3-10-21)13-18(20(23)24)12-15-4-6-16(7-5-15)17-8-11-26-14-17/h4-8,11,14,18,25H,1-3,9-10,12-13H2,(H,23,24)/t18-/m1/s1
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61n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269045
PNG
(CHEMBL4064153)
Show SMILES C[C@H](NC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H24BrNO4S/c1-14(22(27)28)24-21(26)17(11-16-7-9-18(23)10-8-16)13-19(25)20(29)12-15-5-3-2-4-6-15/h2-10,14,17,20,29H,11-13H2,1H3,(H,24,26)(H,27,28)/t14-,17?,20?/m0/s1
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78n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269089
PNG
(CHEMBL4088709)
Show SMILES CCC(S)(CC)C(=O)CC(Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C16H21BrO3S/c1-3-16(21,4-2)14(18)10-12(15(19)20)9-11-5-7-13(17)8-6-11/h5-8,12,21H,3-4,9-10H2,1-2H3,(H,19,20)
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86n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269046
PNG
(CHEMBL4075680)
Show SMILES C[C@H](NC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H25NO4S/c1-15(22(26)27)23-21(25)18(12-16-8-4-2-5-9-16)14-19(24)20(28)13-17-10-6-3-7-11-17/h2-11,15,18,20,28H,12-14H2,1H3,(H,23,25)(H,26,27)/t15-,18?,20?/m0/s1
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95n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269031
PNG
(CHEMBL4094929)
Show SMILES CC(=O)N1CCC(S)(CC1)C(=O)CC(Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C18H22BrNO4S/c1-12(21)20-8-6-18(25,7-9-20)16(22)11-14(17(23)24)10-13-2-4-15(19)5-3-13/h2-5,14,25H,6-11H2,1H3,(H,23,24)
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95n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269072
PNG
(CHEMBL4100250)
Show SMILES OC(=O)C(CC(=O)C(S)Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C19H20O3S/c20-17(18(23)12-15-9-5-2-6-10-15)13-16(19(21)22)11-14-7-3-1-4-8-14/h1-10,16,18,23H,11-13H2,(H,21,22)
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140n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269074
PNG
(CHEMBL4061434)
Show SMILES CC(S)C(=O)CC(Cc1ccc(Br)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H25BrN2O4S/c1-14(32)22(28)12-16(10-15-6-8-18(25)9-7-15)23(29)27-21(24(30)31)11-17-13-26-20-5-3-2-4-19(17)20/h2-9,13-14,16,21,26,32H,10-12H2,1H3,(H,27,29)(H,30,31)/t14?,16?,21-/m0/s1
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162n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269090
PNG
(CHEMBL4082357)
Show SMILES OC(=O)C(CC(=O)C(S)Cc1ccc(cc1)-c1ccccc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C25H23BrO3S/c26-22-12-8-17(9-13-22)14-21(25(28)29)16-23(27)24(30)15-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,21,24,30H,14-16H2,(H,28,29)
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252n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269070
PNG
(CHEMBL4101421)
Show SMILES OC(=O)C(CC(=O)C(S)Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2O3S/c20-15-5-1-12(2-6-15)9-14(19(23)24)11-17(22)18(25)10-13-3-7-16(21)8-4-13/h1-8,14,18,25H,9-11H2,(H,23,24)
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260n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269067
PNG
(CHEMBL4067370)
Show SMILES CC(C)(S)C(=O)CC(Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C14H17BrO3S/c1-14(2,19)12(16)8-10(13(17)18)7-9-3-5-11(15)6-4-9/h3-6,10,19H,7-8H2,1-2H3,(H,17,18)
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470n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269068
PNG
(CHEMBL4091335)
Show SMILES CC(C)CC(S)C(=O)CC(Cc1ccc(Br)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H28BrNO3S/c1-14(2)11-19(26)18(23)13-16(12-15-3-5-17(21)6-4-15)20(24)22-7-9-25-10-8-22/h3-6,14,16,19,26H,7-13H2,1-2H3
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1.65E+3n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269071
PNG
(CHEMBL4063351)
Show SMILES OC(=O)C(CC(=O)C(S)Cc1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C19H19BrO3S/c20-16-8-6-14(7-9-16)11-18(24)17(21)12-15(19(22)23)10-13-4-2-1-3-5-13/h1-9,15,18,24H,10-12H2,(H,22,23)
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1.75E+3n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50269034
PNG
(CHEMBL4076819)
Show SMILES CC(C)C[C@H](NC(=O)C(CC(=O)C(S)Cc1ccc(Br)cc1)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H30BrNO4S/c1-16(2)12-21(25(30)31)27-24(29)19(13-17-6-4-3-5-7-17)15-22(28)23(32)14-18-8-10-20(26)11-9-18/h3-11,16,19,21,23,32H,12-15H2,1-2H3,(H,27,29)(H,30,31)/t19?,21-,23?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem Lett 27: 3883-3890 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.050
BindingDB Entry DOI: 10.7270/Q20V8G93
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559562
PNG
(CHEMBL4762834)
Show SMILES Cn1c(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)nc2ccccc12
PDB
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1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559561
PNG
(CHEMBL4760006)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1coc2ccccc12
PDB
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3.13E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559558
PNG
(CHEMBL4764936)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.06E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559578
PNG
(CHEMBL4751618)
Show SMILES Cc1cc(Br)ccc1C(=O)NC1=NC(=O)CN1 |t:12|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559551
PNG
(CHEMBL4758612)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc(cs1)-c1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559553
PNG
(CHEMBL4745918)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ncc(s1)-c1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559554
PNG
(CHEMBL4751454)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nccs1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559555
PNG
(CHEMBL4745988)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1nc2ccccc2s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559556
PNG
(CHEMBL4749889)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1nc2ccccc2[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559557
PNG
(CHEMBL4794689)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559559
PNG
(CHEMBL4746129)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2o1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559560
PNG
(CHEMBL4756804)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1c[nH]c2ccccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559552
PNG
(CHEMBL4776002)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc2ccccc2s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
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