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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'rougeot' and Initial = 'c'   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382512
PNG
(CHEMBL2022238)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20+,21-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382508
PNG
(CHEMBL2022234)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47FN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20+,21-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382929
PNG
(CHEMBL2029399)
Show SMILES [#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C32H53N13O9S/c33-18(16-55)25(48)41-20(10-11-24(34)47)27(50)42-19(8-4-12-39-31(35)36)26(49)44-22(14-17-6-2-1-3-7-17)28(51)45-23(15-46)29(52)43-21(30(53)54)9-5-13-40-32(37)38/h1-3,6-7,18-23,46,55H,4-5,8-16,33H2,(H2,34,47)(H,41,48)(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H,53,54)(H4,35,36,39)(H4,37,38,40)/t18-,19-,20-,21-,22-,23-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382929
PNG
(CHEMBL2029399)
Show SMILES [#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C32H53N13O9S/c33-18(16-55)25(48)41-20(10-11-24(34)47)27(50)42-19(8-4-12-39-31(35)36)26(49)44-22(14-17-6-2-1-3-7-17)28(51)45-23(15-46)29(52)43-21(30(53)54)9-5-13-40-32(37)38/h1-3,6-7,18-23,46,55H,4-5,8-16,33H2,(H2,34,47)(H,41,48)(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H,53,54)(H4,35,36,39)(H4,37,38,40)/t18-,19-,20-,21-,22-,23-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neprilysin


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382926
PNG
(CHEMBL2029393)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C18H28N6O5/c19-12(9-11-5-2-1-3-6-11)15(26)24-14(10-25)16(27)23-13(17(28)29)7-4-8-22-18(20)21/h1-3,5-6,12-14,25H,4,7-10,19H2,(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t12-,13-,14-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neprilysin


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382499
PNG
(CHEMBL2022225)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using Ala-Mca as substrate incubated for 10 mins prior to substrate addition measured for 40 mins by...


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382499
PNG
(CHEMBL2022225)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382499
PNG
(CHEMBL2022225)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382515
PNG
(CHEMBL2024267)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-c1ccccc1 |r|
Show InChI InChI=1S/C28H46N12O8/c29-16(10-11-20(30)42)22(43)37-17(8-4-12-35-27(31)32)23(44)40-21(15-6-2-1-3-7-15)25(46)39-19(14-41)24(45)38-18(26(47)48)9-5-13-36-28(33)34/h1-3,6-7,16-19,21,41H,4-5,8-14,29H2,(H2,30,42)(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H,47,48)(H4,31,32,35)(H4,33,34,36)/t16-,17-,18-,19-,21-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382520
PNG
(CHEMBL2022227)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C26H41N9O8/c1-14(32-22(39)16(27)9-10-20(28)37)21(38)34-18(12-15-6-3-2-4-7-15)23(40)35-19(13-36)24(41)33-17(25(42)43)8-5-11-31-26(29)30/h2-4,6-7,14,16-19,36H,5,8-13,27H2,1H3,(H2,28,37)(H,32,39)(H,33,41)(H,34,38)(H,35,40)(H,42,43)(H4,29,30,31)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382507
PNG
(CHEMBL2021931)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47FN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131538
PNG
(CHEMBL3633448)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H48N12O7S/c30-17(10-11-22(31)42)23(43)38-18(8-4-12-36-28(32)33)24(44)40-20(14-16-6-2-1-3-7-16)25(45)41-21(15-49)26(46)39-19(27(47)48)9-5-13-37-29(34)35/h1-3,6-7,17-21,49H,4-5,8-15,30H2,(H2,31,42)(H,38,43)(H,39,46)(H,40,44)(H,41,45)(H,47,48)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131500
PNG
(CHEMBL3633451)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H47N11O9/c30-17(10-11-22(31)42)23(43)37-18(8-4-13-36-29(34)49)24(44)39-20(14-16-6-2-1-3-7-16)25(45)40-21(15-41)26(46)38-19(27(47)48)9-5-12-35-28(32)33/h1-3,6-7,17-21,41H,4-5,8-15,30H2,(H2,31,42)(H,37,43)(H,38,46)(H,39,44)(H,40,45)(H,47,48)(H4,32,33,35)(H3,34,36,49)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382927
PNG
(CHEMBL2029394)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H40N10O6/c25-15(8-4-10-30-23(26)27)19(36)33-17(12-14-6-2-1-3-7-14)20(37)34-18(13-35)21(38)32-16(22(39)40)9-5-11-31-24(28)29/h1-3,6-7,15-18,35H,4-5,8-13,25H2,(H,32,38)(H,33,36)(H,34,37)(H,39,40)(H4,26,27,30)(H4,28,29,31)/t15-,16-,17-,18-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382499
PNG
(CHEMBL2022225)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neutral endopeptidase using Ala-AMC as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382499
PNG
(CHEMBL2022225)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neprilysin using Abz-dR-G-L-EDDnp as substrate incubated for 10 mins prior to substrate addition measured for 40 mins...


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382500
PNG
(CHEMBL2024270)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C36H52N12O9/c37-23(14-15-28(38)50)30(52)45-24(8-4-16-43-35(39)40)31(53)47-26(18-20-10-12-22(13-11-20)29(51)21-6-2-1-3-7-21)32(54)48-27(19-49)33(55)46-25(34(56)57)9-5-17-44-36(41)42/h1-3,6-7,10-13,23-27,49H,4-5,8-9,14-19,37H2,(H2,38,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)(H,56,57)(H4,39,40,43)(H4,41,42,44)/t23-,24-,25-,26-,27-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382505
PNG
(CHEMBL2022232)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1Br)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47BrN12O8/c30-16-6-2-1-5-15(16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)8-4-12-38-29(35)36)41-24(46)18(7-3-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h1-2,5-6,17-21,43H,3-4,7-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382510
PNG
(CHEMBL2022236)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(I)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47IN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382499
PNG
(CHEMBL2022225)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131498
PNG
(CHEMBL3633453)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C37H61N13O13/c1-18(52)46-27-29(55)28(54)25(16-51)63-35(27)62-17-24(33(59)48-22(34(60)61)10-6-14-45-37(42)43)50-32(58)23(15-19-7-3-2-4-8-19)49-31(57)21(9-5-13-44-36(40)41)47-30(56)20(38)11-12-26(39)53/h2-4,7-8,20-25,27-29,35,51,54-55H,5-6,9-17,38H2,1H3,(H2,39,53)(H,46,52)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H,60,61)(H4,40,41,44)(H4,42,43,45)/t20-,21-,22-,23-,24-,25+,27+,28+,29+,35-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382503
PNG
(CHEMBL2022230)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C26H41N9O8/c1-14(25(42)43)32-24(41)19(13-36)35-23(40)18(12-15-6-3-2-4-7-15)34-22(39)17(8-5-11-31-26(29)30)33-21(38)16(27)9-10-20(28)37/h2-4,6-7,14,16-19,36H,5,8-13,27H2,1H3,(H2,28,37)(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)(H4,29,30,31)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50131536
PNG
(CHEMBL3633450)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C29H48N10O8/c30-13-5-4-9-20(28(46)47)37-27(45)22(16-40)39-26(44)21(15-17-7-2-1-3-8-17)38-25(43)19(10-6-14-35-29(33)34)36-24(42)18(31)11-12-23(32)41/h1-3,7-8,18-22,40H,4-6,9-16,30-31H2,(H2,32,41)(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,46,47)(H4,33,34,35)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neutral endopeptidase using Ala-AMC as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382519
PNG
(CHEMBL2022226)
Show SMILES [#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C27H45N11O7/c1-15(28)21(40)35-17(9-5-11-33-26(29)30)22(41)37-19(13-16-7-3-2-4-8-16)23(42)38-20(14-39)24(43)36-18(25(44)45)10-6-12-34-27(31)32/h2-4,7-8,15,17-20,39H,5-6,9-14,28H2,1H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)(H,44,45)(H4,29,30,33)(H4,31,32,34)/t15-,17-,18-,19-,20-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382502
PNG
(CHEMBL2022229)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O7/c1-16(23(43)40-20(27(47)48)10-6-14-37-29(34)35)38-26(46)21(15-17-7-3-2-4-8-17)41-25(45)19(9-5-13-36-28(32)33)39-24(44)18(30)11-12-22(31)42/h2-4,7-8,16,18-21H,5-6,9-15,30H2,1H3,(H2,31,42)(H,38,46)(H,39,44)(H,40,43)(H,41,45)(H,47,48)(H4,32,33,36)(H4,34,35,37)/t16-,18-,19-,20-,21-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382504
PNG
(CHEMBL2022231)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1F)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47FN12O8/c30-16-6-2-1-5-15(16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)8-4-12-38-29(35)36)41-24(46)18(7-3-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h1-2,5-6,17-21,43H,3-4,7-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382517
PNG
(CHEMBL2024269)
Show SMILES [#6]-c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)cc1 |r|
Show InChI InChI=1S/C30H50N12O8/c1-16-6-8-17(9-7-16)14-21(26(47)42-22(15-43)27(48)40-20(28(49)50)5-3-13-38-30(35)36)41-25(46)19(4-2-12-37-29(33)34)39-24(45)18(31)10-11-23(32)44/h6-9,18-22,43H,2-5,10-15,31H2,1H3,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382502
PNG
(CHEMBL2022229)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O7/c1-16(23(43)40-20(27(47)48)10-6-14-37-29(34)35)38-26(46)21(15-17-7-3-2-4-8-17)41-25(45)19(9-5-13-36-28(32)33)39-24(44)18(30)11-12-22(31)42/h2-4,7-8,16,18-21H,5-6,9-15,30H2,1H3,(H2,31,42)(H,38,46)(H,39,44)(H,40,43)(H,41,45)(H,47,48)(H4,32,33,36)(H4,34,35,37)/t16-,18-,19-,20-,21-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382504
PNG
(CHEMBL2022231)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1F)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47FN12O8/c30-16-6-2-1-5-15(16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)8-4-12-38-29(35)36)41-24(46)18(7-3-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h1-2,5-6,17-21,43H,3-4,7-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382509
PNG
(CHEMBL2022235)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47ClN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50131537
PNG
(CHEMBL3633449)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H48N10O8/c30-13-5-4-9-19(36-24(42)18(31)11-12-23(32)41)25(43)38-21(15-17-7-2-1-3-8-17)26(44)39-22(16-40)27(45)37-20(28(46)47)10-6-14-35-29(33)34/h1-3,7-8,18-22,40H,4-6,9-16,30-31H2,(H2,32,41)(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,46,47)(H4,33,34,35)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neutral endopeptidase using Ala-AMC as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382925
PNG
(CHEMBL2029398)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H57N13O9/c39-24(19-22-9-3-1-4-10-22)31(54)47-26(15-16-30(40)53)33(56)48-25(13-7-17-45-37(41)42)32(55)50-28(20-23-11-5-2-6-12-23)34(57)51-29(21-52)35(58)49-27(36(59)60)14-8-18-46-38(43)44/h1-6,9-12,24-29,52H,7-8,13-21,39H2,(H2,40,53)(H,47,54)(H,48,56)(H,49,58)(H,50,55)(H,51,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t24-,25-,26-,27-,28-,29-/m0/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neprilysin using Abz-dR-G-L-EDDnp as substrate incubated for 10 mins prior to substrate addition measured for 40 mins...


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131497
PNG
(CHEMBL3633454)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C37H61N13O13/c1-18(52)46-27-29(55)28(54)25(16-51)63-35(27)62-17-24(33(59)48-22(34(60)61)10-6-14-45-37(42)43)50-32(58)23(15-19-7-3-2-4-8-19)49-31(57)21(9-5-13-44-36(40)41)47-30(56)20(38)11-12-26(39)53/h2-4,7-8,20-25,27-29,35,51,54-55H,5-6,9-17,38H2,1H3,(H2,39,53)(H,46,52)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H,60,61)(H4,40,41,44)(H4,42,43,45)/t20-,21-,22-,23-,24-,25+,27+,28+,29+,35+/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382514
PNG
(CHEMBL2024266)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C30H50N12O8/c31-18(11-13-23(32)44)24(45)39-19(8-4-14-37-29(33)34)25(46)40-20(12-10-17-6-2-1-3-7-17)26(47)42-22(16-43)27(48)41-21(28(49)50)9-5-15-38-30(35)36/h1-3,6-7,18-22,43H,4-5,8-16,31H2,(H2,32,44)(H,39,45)(H,40,46)(H,41,48)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131499
PNG
(CHEMBL3633452)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C29H47N11O9/c30-17(10-11-22(31)42)23(43)37-18(8-4-12-35-28(32)33)24(44)39-20(14-16-6-2-1-3-7-16)25(45)40-21(15-41)26(46)38-19(27(47)48)9-5-13-36-29(34)49/h1-3,6-7,17-21,41H,4-5,8-15,30H2,(H2,31,42)(H,37,43)(H,38,46)(H,39,44)(H,40,45)(H,47,48)(H4,32,33,35)(H3,34,36,49)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382516
PNG
(CHEMBL2024268)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O9/c30-17(9-10-22(31)44)23(45)38-18(3-1-11-36-28(32)33)24(46)40-20(13-15-5-7-16(43)8-6-15)25(47)41-21(14-42)26(48)39-19(27(49)50)4-2-12-37-29(34)35/h5-8,17-21,42-43H,1-4,9-14,30H2,(H2,31,44)(H,38,45)(H,39,48)(H,40,46)(H,41,47)(H,49,50)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 6.40E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382505
PNG
(CHEMBL2022232)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1Br)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47BrN12O8/c30-16-6-2-1-5-15(16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)8-4-12-38-29(35)36)41-24(46)18(7-3-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h1-2,5-6,17-21,43H,3-4,7-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382520
PNG
(CHEMBL2022227)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C26H41N9O8/c1-14(32-22(39)16(27)9-10-20(28)37)21(38)34-18(12-15-6-3-2-4-7-15)23(40)35-19(13-36)24(41)33-17(25(42)43)8-5-11-31-26(29)30/h2-4,6-7,14,16-19,36H,5,8-13,27H2,1H3,(H2,28,37)(H,32,39)(H,33,41)(H,34,38)(H,35,40)(H,42,43)(H4,29,30,31)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382519
PNG
(CHEMBL2022226)
Show SMILES [#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C27H45N11O7/c1-15(28)21(40)35-17(9-5-11-33-26(29)30)22(41)37-19(13-16-7-3-2-4-8-16)23(42)38-20(14-39)24(43)36-18(25(44)45)10-6-12-34-27(31)32/h2-4,7-8,15,17-20,39H,5-6,9-14,28H2,1H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)(H,44,45)(H4,29,30,33)(H4,31,32,34)/t15-,17-,18-,19-,20-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131537
PNG
(CHEMBL3633449)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H48N10O8/c30-13-5-4-9-19(36-24(42)18(31)11-12-23(32)41)25(43)38-21(15-17-7-2-1-3-8-17)26(44)39-22(16-40)27(45)37-20(28(46)47)10-6-14-35-29(33)34/h1-3,7-8,18-22,40H,4-6,9-16,30-31H2,(H2,32,41)(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,46,47)(H4,33,34,35)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382501
PNG
(CHEMBL2022228)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C23H44N12O8/c1-11(17(38)35-15(10-36)20(41)34-14(21(42)43)5-3-9-31-23(28)29)32-19(40)13(4-2-8-30-22(26)27)33-18(39)12(24)6-7-16(25)37/h11-15,36H,2-10,24H2,1H3,(H2,25,37)(H,32,40)(H,33,39)(H,34,41)(H,35,38)(H,42,43)(H4,26,27,30)(H4,28,29,31)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131536
PNG
(CHEMBL3633450)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C29H48N10O8/c30-13-5-4-9-20(28(46)47)37-27(45)22(16-40)39-26(44)21(15-17-7-2-1-3-8-17)38-25(43)19(10-6-14-35-29(33)34)36-24(42)18(31)11-12-23(32)41/h1-3,7-8,18-22,40H,4-6,9-16,30-31H2,(H2,32,41)(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,46,47)(H4,33,34,35)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382503
PNG
(CHEMBL2022230)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C26H41N9O8/c1-14(25(42)43)32-24(41)19(13-36)35-23(40)18(12-15-6-3-2-4-7-15)34-22(39)17(8-5-11-31-26(29)30)33-21(38)16(27)9-10-20(28)37/h2-4,6-7,14,16-19,36H,5,8-13,27H2,1H3,(H2,28,37)(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)(H4,29,30,31)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382509
PNG
(CHEMBL2022235)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H47ClN12O8/c30-16-7-5-15(6-8-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)4-2-12-38-29(35)36)41-24(46)18(3-1-11-37-28(33)34)39-23(45)17(31)9-10-22(32)44/h5-8,17-21,43H,1-4,9-14,31H2,(H2,32,44)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382514
PNG
(CHEMBL2024266)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C30H50N12O8/c31-18(11-13-23(32)44)24(45)39-19(8-4-14-37-29(33)34)25(46)40-20(12-10-17-6-2-1-3-7-17)26(47)42-22(16-43)27(48)41-21(28(49)50)9-5-15-38-30(35)36/h1-3,6-7,18-22,43H,4-5,8-16,31H2,(H2,32,44)(H,39,45)(H,40,46)(H,41,48)(H,42,47)(H,49,50)(H4,33,34,37)(H4,35,36,38)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382513
PNG
(CHEMBL2022239)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-c1ccccc1 |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)24(45)39-18(8-4-12-36-28(32)33)25(46)41-20(16-6-2-1-3-7-16)14-23(44)38-21(15-42)26(47)40-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,45)(H,40,47)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20+,21-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382516
PNG
(CHEMBL2024268)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H48N12O9/c30-17(9-10-22(31)44)23(45)38-18(3-1-11-36-28(32)33)24(46)40-20(13-15-5-7-16(43)8-6-15)25(47)41-21(14-42)26(48)39-19(27(49)50)4-2-12-37-29(34)35/h5-8,17-21,42-43H,1-4,9-14,30H2,(H2,31,44)(H,38,45)(H,39,48)(H,40,46)(H,41,47)(H,49,50)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382928
PNG
(CHEMBL2029395)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C23H36N8O7/c24-14(8-9-18(25)33)19(34)29-15(7-4-10-28-23(26)27)20(35)30-16(11-13-5-2-1-3-6-13)21(36)31-17(12-32)22(37)38/h1-3,5-6,14-17,32H,4,7-12,24H2,(H2,25,33)(H,29,34)(H,30,35)(H,31,36)(H,37,38)(H4,26,27,28)/t14-,15-,16-,17-/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N


ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50131539
PNG
(CHEMBL3633447)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21+/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50131500
PNG
(CHEMBL3633451)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H47N11O9/c30-17(10-11-22(31)42)23(43)37-18(8-4-13-36-29(34)49)24(44)39-20(14-16-6-2-1-3-7-16)25(45)40-21(15-41)26(46)38-19(27(47)48)9-5-12-35-28(32)33/h1-3,6-7,17-21,41H,4-5,8-15,30H2,(H2,31,42)(H,37,43)(H,38,46)(H,39,44)(H,40,45)(H,47,48)(H4,32,33,35)(H3,34,36,49)/t17-,18-,19-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neutral endopeptidase using Ala-AMC as substrate after 20 to 40 mins by fluorometry


Bioorg Med Chem Lett 25: 5190-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.071
BindingDB Entry DOI: 10.7270/Q2FN182S
More data for this
Ligand-Target Pair
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