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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'jiménez-barbero' and Initial = 'j'   
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))
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))
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
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))
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))
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
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
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))
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
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
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
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))
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
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
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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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))
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>1.00E+5n/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))
BDBM50382518
PNG
(CHEMBL2024271)
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]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C29H48N12O8/c30-18(10-11-22(31)43)24(45)39-19(8-4-12-36-28(32)33)26(47)41(14-17-6-2-1-3-7-17)15-23(44)38-21(16-42)25(46)40-20(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,18-21,42H,4-5,8-16,30H2,(H2,31,43)(H,38,44)(H,39,45)(H,40,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t18-,19-,20-,21-/m0/s1
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n/an/a>1.00E+5n/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))
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>1.00E+5n/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))
BDBM50382506
PNG
(CHEMBL2022233)
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]-c1cccc(F)c1)-[#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/c30-16-5-1-4-15(12-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)7-3-11-38-29(35)36)41-24(46)18(6-2-10-37-28(33)34)39-23(45)17(31)8-9-22(32)44/h1,4-5,12,17-21,43H,2-3,6-11,13-14,31H2,(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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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))
BDBM50382511
PNG
(CHEMBL2022237)
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]-c1c(F)c(F)c(F)c(F)c1F)-[#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/C29H43F5N12O8/c30-18-11(19(31)21(33)22(34)20(18)32)9-15(25(51)46-16(10-47)26(52)44-14(27(53)54)4-2-8-42-29(39)40)45-24(50)13(3-1-7-41-28(37)38)43-23(49)12(35)5-6-17(36)48/h12-16,47H,1-10,35H2,(H2,36,48)(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t12-,13-,14-,15-,16-/m0/s1
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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))
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>1.00E+5n/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))
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>1.00E+5n/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))
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+5n/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))
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>1.00E+5n/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))
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>1.00E+5n/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))
BDBM50382511
PNG
(CHEMBL2022237)
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]-c1c(F)c(F)c(F)c(F)c1F)-[#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/C29H43F5N12O8/c30-18-11(19(31)21(33)22(34)20(18)32)9-15(25(51)46-16(10-47)26(52)44-14(27(53)54)4-2-8-42-29(39)40)45-24(50)13(3-1-7-41-28(37)38)43-23(49)12(35)5-6-17(36)48/h12-16,47H,1-10,35H2,(H2,36,48)(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t12-,13-,14-,15-,16-/m0/s1
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n/an/a>1.00E+5n/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))
BDBM50382518
PNG
(CHEMBL2024271)
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]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C29H48N12O8/c30-18(10-11-22(31)43)24(45)39-19(8-4-12-36-28(32)33)26(47)41(14-17-6-2-1-3-7-17)15-23(44)38-21(16-42)25(46)40-20(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,18-21,42H,4-5,8-16,30H2,(H2,31,43)(H,38,44)(H,39,45)(H,40,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t18-,19-,20-,21-/m0/s1
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n/an/a>1.00E+5n/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))
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>1.00E+5n/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))
BDBM50382506
PNG
(CHEMBL2022233)
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]-c1cccc(F)c1)-[#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/c30-16-5-1-4-15(12-16)13-20(25(47)42-21(14-43)26(48)40-19(27(49)50)7-3-11-38-29(35)36)41-24(46)18(6-2-10-37-28(33)34)39-23(45)17(31)8-9-22(32)44/h1,4-5,12,17-21,43H,2-3,6-11,13-14,31H2,(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>1.00E+5n/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))
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>1.00E+5n/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