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PubMed code 7932521

Compile data set for download or QSAR
Found 81 hits of Enzyme Inhibition Constant Data   
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
Renin


(Homo sapiens (Human))
BDBM50036999
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1nnc(N)[nH]1
Show InChI InChI=1S/C41H68N8O7/c1-5-6-17-35(56-36(25-30-15-11-8-12-16-30)39(53)49-22-18-31(19-23-49)55-27-54-4)38(52)45-33(24-29-13-9-7-10-14-29)34(50)26-32(28(2)3)37(51)43-20-21-44-41-46-40(42)47-48-41/h8,11-12,15-16,28-29,31-36,50H,5-7,9-10,13-14,17-27H2,1-4H3,(H,43,51)(H,45,52)(H4,42,44,46,47,48)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.10n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036995
PNG
(1N-[3-methylamino(cyano imino)methylaminopropyl]-5...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(NC)=NC#N |w:54.57|
Show InChI InChI=1S/C43H71N7O7/c1-6-7-19-38(57-39(27-33-17-12-9-13-18-33)42(54)50-24-20-34(21-25-50)56-30-55-5)41(53)49-36(26-32-15-10-8-11-16-32)37(51)28-35(31(2)3)40(52)46-22-14-23-47-43(45-4)48-29-44/h9,12-13,17-18,31-32,34-39,51H,6-8,10-11,14-16,19-28,30H2,1-5H3,(H,46,52)(H,49,53)(H2,45,47,48)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036979
PNG
(1N-[3-cyanoimino(methylsulfanyl)methylaminopropyl]...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(SC)=NC#N |w:54.57|
Show InChI InChI=1S/C43H70N6O7S/c1-6-7-19-38(56-39(27-33-17-12-9-13-18-33)42(53)49-24-20-34(21-25-49)55-30-54-4)41(52)48-36(26-32-15-10-8-11-16-32)37(50)28-35(31(2)3)40(51)45-22-14-23-46-43(57-5)47-29-44/h9,12-13,17-18,31-32,34-39,50H,6-8,10-11,14-16,19-28,30H2,1-5H3,(H,45,51)(H,46,47)(H,48,52)/t35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036977
PNG
(1N-[3-amino(cyanoimino)methylaminopropyl]-5-[1-[1-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(N)=NC#N |w:53.56|
Show InChI InChI=1S/C42H69N7O7/c1-5-6-18-37(56-38(26-32-16-11-8-12-17-32)41(53)49-23-19-33(20-24-49)55-29-54-4)40(52)48-35(25-31-14-9-7-10-15-31)36(50)27-34(30(2)3)39(51)45-21-13-22-46-42(44)47-28-43/h8,11-12,16-17,30-31,33-38,50H,5-7,9-10,13-15,18-27,29H2,1-4H3,(H,45,51)(H,48,52)(H3,44,46,47)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 1.5n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036989
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNc1nnc(N)[nH]1
Show InChI InChI=1S/C42H70N8O7/c1-5-6-18-36(57-37(26-31-16-11-8-12-17-31)40(54)50-23-19-32(20-24-50)56-28-55-4)39(53)46-34(25-30-14-9-7-10-15-30)35(51)27-33(29(2)3)38(52)44-21-13-22-45-42-47-41(43)48-49-42/h8,11-12,16-17,29-30,32-37,51H,5-7,9-10,13-15,18-28H2,1-4H3,(H,44,52)(H,46,53)(H4,43,45,47,48,49)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 1.70n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036974
PNG
(1N-[2-amino(cyanoimino)methylaminoethyl]-5-[1-[1-b...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(N)=NC#N |w:52.55|
Show InChI InChI=1S/C41H67N7O7/c1-5-6-17-36(55-37(25-31-15-11-8-12-16-31)40(52)48-22-18-32(19-23-48)54-28-53-4)39(51)47-34(24-30-13-9-7-10-14-30)35(49)26-33(29(2)3)38(50)44-20-21-45-41(43)46-27-42/h8,11-12,15-16,29-30,32-37,49H,5-7,9-10,13-14,17-26,28H2,1-4H3,(H,44,50)(H,47,51)(H3,43,45,46)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 1.80n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037007
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(N)=O
Show InChI InChI=1S/C41H69N5O8/c1-5-6-18-36(54-37(26-31-16-11-8-12-17-31)40(50)46-23-19-32(20-24-46)53-28-52-4)39(49)45-34(25-30-14-9-7-10-15-30)35(47)27-33(29(2)3)38(48)43-21-13-22-44-41(42)51/h8,11-12,16-17,29-30,32-37,47H,5-7,9-10,13-15,18-28H2,1-4H3,(H,43,48)(H,45,49)(H3,42,44,51)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 2n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036985
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(N)=S
Show InChI InChI=1S/C40H67N5O7S/c1-5-6-17-35(52-36(25-30-15-11-8-12-16-30)39(49)45-22-18-31(19-23-45)51-27-50-4)38(48)44-33(24-29-13-9-7-10-14-29)34(46)26-32(28(2)3)37(47)42-20-21-43-40(41)53/h8,11-12,15-16,28-29,31-36,46H,5-7,9-10,13-14,17-27H2,1-4H3,(H,42,47)(H,44,48)(H3,41,43,53)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 2.20n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036988
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(C)=O
Show InChI InChI=1S/C42H70N4O8/c1-6-7-19-38(54-39(27-33-17-12-9-13-18-33)42(51)46-24-20-34(21-25-46)53-29-52-5)41(50)45-36(26-32-15-10-8-11-16-32)37(48)28-35(30(2)3)40(49)44-23-14-22-43-31(4)47/h9,12-13,17-18,30,32,34-39,48H,6-8,10-11,14-16,19-29H2,1-5H3,(H,43,47)(H,44,49)(H,45,50)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 2.40n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036978
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(N)=S
Show InChI InChI=1S/C41H69N5O7S/c1-5-6-18-36(53-37(26-31-16-11-8-12-17-31)40(50)46-23-19-32(20-24-46)52-28-51-4)39(49)45-34(25-30-14-9-7-10-15-30)35(47)27-33(29(2)3)38(48)43-21-13-22-44-41(42)54/h8,11-12,16-17,29-30,32-37,47H,5-7,9-10,13-15,18-28H2,1-4H3,(H,43,48)(H,45,49)(H3,42,44,54)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 2.5n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037013
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(C)=O
Show InChI InChI=1S/C41H68N4O8/c1-6-7-18-37(53-38(26-32-16-12-9-13-17-32)41(50)45-23-19-33(20-24-45)52-28-51-5)40(49)44-35(25-31-14-10-8-11-15-31)36(47)27-34(29(2)3)39(48)43-22-21-42-30(4)46/h9,12-13,16-17,29,31,33-38,47H,6-8,10-11,14-15,18-28H2,1-5H3,(H,42,46)(H,43,48)(H,44,49)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 2.60n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006187
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C44H74N4O8/c1-5-6-18-40(56-41(30-35-16-11-8-12-17-35)44(52)48-23-19-36(20-24-48)55-32-53-4)43(51)46-38(29-34-14-9-7-10-15-34)39(49)31-37(33(2)3)42(50)45-21-13-22-47-25-27-54-28-26-47/h8,11-12,16-17,33-34,36-41,49H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,50)(H,46,51)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 2.80n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036972
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(N)=O
Show InChI InChI=1S/C40H67N5O8/c1-5-6-17-35(53-36(25-30-15-11-8-12-16-30)39(49)45-22-18-31(19-23-45)52-27-51-4)38(48)44-33(24-29-13-9-7-10-14-29)34(46)26-32(28(2)3)37(47)42-20-21-43-40(41)50/h8,11-12,15-16,28-29,31-36,46H,5-7,9-10,13-14,17-27H2,1-4H3,(H,42,47)(H,44,48)(H3,41,43,50)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 2.80n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036986
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1noc(N)n1
Show InChI InChI=1S/C41H67N7O8/c1-5-6-17-35(55-36(25-30-15-11-8-12-16-30)39(52)48-22-18-31(19-23-48)54-27-53-4)38(51)45-33(24-29-13-9-7-10-14-29)34(49)26-32(28(2)3)37(50)43-20-21-44-41-46-40(42)56-47-41/h8,11-12,15-16,28-29,31-36,49H,5-7,9-10,13-14,17-27H2,1-4H3,(H,43,50)(H,45,51)(H3,42,44,46,47)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 3.10n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037016
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCCN1CCOCC1
Show InChI InChI=1S/C45H76N4O8/c1-5-6-19-41(57-42(31-36-17-11-8-12-18-36)45(53)49-24-20-37(21-25-49)56-33-54-4)44(52)47-39(30-35-15-9-7-10-16-35)40(50)32-38(34(2)3)43(51)46-22-13-14-23-48-26-28-55-29-27-48/h8,11-12,17-18,34-35,37-42,50H,5-7,9-10,13-16,19-33H2,1-4H3,(H,46,51)(H,47,52)/t38-,39-,40-,41-,42-/m0/s1
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n/an/a 3.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037006
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1noc(N)n1
Show InChI InChI=1S/C41H68N8O7/c1-5-6-17-33(45-35(25-30-15-11-8-12-16-30)39(53)49-22-18-31(19-23-49)55-27-54-4)38(52)46-34(24-29-13-9-7-10-14-29)36(50)26-32(28(2)3)37(51)43-20-21-44-41-47-40(42)56-48-41/h8,11-12,15-16,28-29,31-36,45,50H,5-7,9-10,13-14,17-27H2,1-4H3,(H,43,51)(H,46,52)(H3,42,44,47,48)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037020
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN
Show InChI InChI=1S/C39H66N4O7/c1-5-6-17-35(50-36(25-30-15-11-8-12-16-30)39(47)43-22-18-31(19-23-43)49-27-48-4)38(46)42-33(24-29-13-9-7-10-14-29)34(44)26-32(28(2)3)37(45)41-21-20-40/h8,11-12,15-16,28-29,31-36,44H,5-7,9-10,13-14,17-27,40H2,1-4H3,(H,41,45)(H,42,46)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 3.90n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036973
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H73N5O7/c1-5-6-17-37(45-39(29-34-15-11-8-12-16-34)43(52)48-21-18-35(19-22-48)55-31-53-4)42(51)46-38(28-33-13-9-7-10-14-33)40(49)30-36(32(2)3)41(50)44-20-23-47-24-26-54-27-25-47/h8,11-12,15-16,32-33,35-40,45,49H,5-7,9-10,13-14,17-31H2,1-4H3,(H,44,50)(H,46,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036982
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC[N+]1([O-])CCOCC1
Show InChI InChI=1S/C44H75N5O8/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)48-22-19-36(20-23-48)57-32-55-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-24-49(54)25-27-56-28-26-49/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037010
PNG
(CHEMBL100949 | [3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benz...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C48H74N4O9/c1-5-6-23-43(61-44(31-37-19-12-8-13-20-37)47(56)52-28-24-39(25-29-52)60-34-58-4)46(55)51-41(30-36-17-10-7-11-18-36)42(53)32-40(35(2)3)45(54)49-26-16-27-50-48(57)59-33-38-21-14-9-15-22-38/h8-9,12-15,19-22,35-36,39-44,53H,5-7,10-11,16-18,23-34H2,1-4H3,(H,49,54)(H,50,57)(H,51,55)/t40-,41-,42-,43-,44-/m0/s1
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n/an/a 4.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036983
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCCN
Show InChI InChI=1S/C41H70N4O7/c1-5-6-19-37(52-38(27-32-17-11-8-12-18-32)41(49)45-24-20-33(21-25-45)51-29-50-4)40(48)44-35(26-31-15-9-7-10-16-31)36(46)28-34(30(2)3)39(47)43-23-14-13-22-42/h8,11-12,17-18,30-31,33-38,46H,5-7,9-10,13-16,19-29,42H2,1-4H3,(H,43,47)(H,44,48)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 4.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036975
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN
Show InChI InChI=1S/C40H68N4O7/c1-5-6-18-36(51-37(26-31-16-11-8-12-17-31)40(48)44-23-19-32(20-24-44)50-28-49-4)39(47)43-34(25-30-14-9-7-10-15-30)35(45)27-33(29(2)3)38(46)42-22-13-21-41/h8,11-12,16-17,29-30,32-37,45H,5-7,9-10,13-15,18-28,41H2,1-4H3,(H,42,46)(H,43,47)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 4.5n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036984
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N
Show InChI InChI=1S/C41H70N4O7/c1-7-8-19-36(52-37(25-31-17-13-10-14-18-31)40(49)45-22-20-32(21-23-45)51-28-50-6)39(48)44-34(24-30-15-11-9-12-16-30)35(46)26-33(29(2)3)38(47)43-27-41(4,5)42/h10,13-14,17-18,29-30,32-37,46H,7-9,11-12,15-16,19-28,42H2,1-6H3,(H,43,47)(H,44,48)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 4.70n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036992
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C45H76N4O8/c1-7-8-19-40(57-41(29-35-17-13-10-14-18-35)44(53)48-22-20-36(21-23-48)56-32-54-6)43(52)47-38(28-34-15-11-9-12-16-34)39(50)30-37(33(2)3)42(51)46-31-45(4,5)49-24-26-55-27-25-49/h10,13-14,17-18,33-34,36-41,50H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 5.90n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037003
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNCCO
Show InChI InChI=1S/C42H72N4O8/c1-5-6-18-38(54-39(28-33-16-11-8-12-17-33)42(51)46-24-19-34(20-25-46)53-30-52-4)41(50)45-36(27-32-14-9-7-10-15-32)37(48)29-35(31(2)3)40(49)44-22-13-21-43-23-26-47/h8,11-12,16-17,31-32,34-39,43,47-48H,5-7,9-10,13-15,18-30H2,1-4H3,(H,44,49)(H,45,50)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 6n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036996
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1nnc(N)[nH]1
Show InChI InChI=1S/C41H69N9O6/c1-5-6-17-33(45-35(25-30-15-11-8-12-16-30)39(54)50-22-18-31(19-23-50)56-27-55-4)38(53)46-34(24-29-13-9-7-10-14-29)36(51)26-32(28(2)3)37(52)43-20-21-44-41-47-40(42)48-49-41/h8,11-12,15-16,28-29,31-36,45,51H,5-7,9-10,13-14,17-27H2,1-4H3,(H,43,52)(H,46,53)(H4,42,44,47,48,49)/t32-,33-,34-,35-,36-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037018
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)NCCO
Show InChI InChI=1S/C43H75N5O7/c1-7-8-19-36(46-38(27-33-17-13-10-14-18-33)42(53)48-23-20-34(21-24-48)55-30-54-6)41(52)47-37(26-32-15-11-9-12-16-32)39(50)28-35(31(2)3)40(51)44-29-43(4,5)45-22-25-49/h10,13-14,17-18,31-32,34-39,45-46,49-50H,7-9,11-12,15-16,19-30H2,1-6H3,(H,44,51)(H,47,52)/t35-,36-,37-,38-,39-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037015
PNG
(3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxym...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(O)=O
Show InChI InChI=1S/C40H65N3O9/c1-5-6-17-35(52-36(25-30-15-11-8-12-16-30)40(49)43-22-19-31(20-23-43)51-27-50-4)39(48)42-33(24-29-13-9-7-10-14-29)34(44)26-32(28(2)3)38(47)41-21-18-37(45)46/h8,11-12,15-16,28-29,31-36,44H,5-7,9-10,13-14,17-27H2,1-4H3,(H,41,47)(H,42,48)(H,45,46)/t32-,33-,34-,35-,36-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006198
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C44H75N5O7/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)49-23-19-36(20-24-49)56-32-54-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-22-48-25-27-55-28-26-48/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006179
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036971
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccncc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-17-37(46-39(27-33-15-11-8-12-16-33)43(52)48-24-20-35(21-25-48)54-30-53-4)42(51)47-38(26-32-13-9-7-10-14-32)40(49)28-36(31(2)3)41(50)45-29-34-18-22-44-23-19-34/h8,11-12,15-16,18-19,22-23,31-32,35-40,46,49H,5-7,9-10,13-14,17,20-21,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037011
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNCCO
Show InChI InChI=1S/C42H73N5O7/c1-5-6-18-36(45-38(28-33-16-11-8-12-17-33)42(52)47-24-19-34(20-25-47)54-30-53-4)41(51)46-37(27-32-14-9-7-10-15-32)39(49)29-35(31(2)3)40(50)44-22-13-21-43-23-26-48/h8,11-12,16-17,31-32,34-39,43,45,48-49H,5-7,9-10,13-15,18-30H2,1-4H3,(H,44,50)(H,46,51)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50036991
PNG
(3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxym...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(O)=O
Show InChI InChI=1S/C40H66N4O8/c1-5-6-17-33(42-35(25-30-15-11-8-12-16-30)40(50)44-22-19-31(20-23-44)52-27-51-4)39(49)43-34(24-29-13-9-7-10-14-29)36(45)26-32(28(2)3)38(48)41-21-18-37(46)47/h8,11-12,15-16,28-29,31-36,42,45H,5-7,9-10,13-14,17-27H2,1-4H3,(H,41,48)(H,43,49)(H,46,47)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50037009
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1nnn[nH]1
Show InChI InChI=1S/C39H63N7O7/c1-5-6-17-34(53-35(23-29-15-11-8-12-16-29)39(50)46-20-18-30(19-21-46)52-26-51-4)38(49)41-32(22-28-13-9-7-10-14-28)33(47)24-31(27(2)3)37(48)40-25-36-42-44-45-43-36/h8,11-12,15-16,27-28,30-35,47H,5-7,9-10,13-14,17-26H2,1-4H3,(H,40,48)(H,41,49)(H,42,43,44,45)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 8.40n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036980
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC[N+]1([O-])CCOCC1
Show InChI InChI=1S/C43H73N5O8/c1-5-6-17-37(45-39(29-34-15-11-8-12-16-34)43(52)47-21-18-35(19-22-47)56-31-54-4)42(51)46-38(28-33-13-9-7-10-14-33)40(49)30-36(32(2)3)41(50)44-20-23-48(53)24-26-55-27-25-48/h8,11-12,15-16,32-33,35-40,45,49H,5-7,9-10,13-14,17-31H2,1-4H3,(H,44,50)(H,46,51)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036981
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037001
PNG
(1N-[2-cyanoimino(methylsulfanyl)methylaminoethyl]-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(SC)=NC#N |w:53.56|
Show InChI InChI=1S/C42H68N6O7S/c1-6-7-18-37(55-38(26-32-16-12-9-13-17-32)41(52)48-23-19-33(20-24-48)54-29-53-4)40(51)47-35(25-31-14-10-8-11-15-31)36(49)27-34(30(2)3)39(50)44-21-22-45-42(56-5)46-28-43/h9,12-13,16-17,30-31,33-38,49H,6-8,10-11,14-15,18-27,29H2,1-5H3,(H,44,50)(H,45,46)(H,47,51)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 9.20n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036976
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037014
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN
Show InChI InChI=1S/C40H69N5O6/c1-5-6-18-34(43-36(26-31-16-11-8-12-17-31)40(49)45-23-19-32(20-24-45)51-28-50-4)39(48)44-35(25-30-14-9-7-10-15-30)37(46)27-33(29(2)3)38(47)42-22-13-21-41/h8,11-12,16-17,29-30,32-37,43,46H,5-7,9-10,13-15,18-28,41H2,1-4H3,(H,42,47)(H,44,48)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50036993
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1cccnc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-19-37(46-39(26-33-16-11-8-12-17-33)43(52)48-23-20-35(21-24-48)54-30-53-4)42(51)47-38(25-32-14-9-7-10-15-32)40(49)27-36(31(2)3)41(50)45-29-34-18-13-22-44-28-34/h8,11-13,16-18,22,28,31-32,35-40,46,49H,5-7,9-10,14-15,19-21,23-27,29-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037000
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN
Show InChI InChI=1S/C39H67N5O6/c1-5-6-17-33(42-35(25-30-15-11-8-12-16-30)39(48)44-22-18-31(19-23-44)50-27-49-4)38(47)43-34(24-29-13-9-7-10-14-29)36(45)26-32(28(2)3)37(46)41-21-20-40/h8,11-12,15-16,28-29,31-36,42,45H,5-7,9-10,13-14,17-27,40H2,1-4H3,(H,41,46)(H,43,47)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036994
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNCCO
Show InChI InChI=1S/C41H71N5O7/c1-5-6-17-35(44-37(27-32-15-11-8-12-16-32)41(51)46-23-18-33(19-24-46)53-29-52-4)40(50)45-36(26-31-13-9-7-10-14-31)38(48)28-34(30(2)3)39(49)43-21-20-42-22-25-47/h8,11-12,15-16,30-31,33-38,42,44,47-48H,5-7,9-10,13-14,17-29H2,1-4H3,(H,43,49)(H,45,50)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037002
PNG
(CHEMBL329981 | [2-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benz...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C47H72N4O9/c1-5-6-22-42(60-43(30-36-18-12-8-13-19-36)46(55)51-27-23-38(24-28-51)59-33-57-4)45(54)50-40(29-35-16-10-7-11-17-35)41(52)31-39(34(2)3)44(53)48-25-26-49-47(56)58-32-37-20-14-9-15-21-37/h8-9,12-15,18-21,34-35,38-43,52H,5-7,10-11,16-17,22-33H2,1-4H3,(H,48,53)(H,49,56)(H,50,54)/t39-,40-,41-,42-,43-/m0/s1
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n/an/a 11n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036987
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N
Show InChI InChI=1S/C41H71N5O6/c1-7-8-19-34(44-36(25-31-17-13-10-14-18-31)40(50)46-22-20-32(21-23-46)52-28-51-6)39(49)45-35(24-30-15-11-9-12-16-30)37(47)26-33(29(2)3)38(48)43-27-41(4,5)42/h10,13-14,17-18,29-30,32-37,44,47H,7-9,11-12,15-16,19-28,42H2,1-6H3,(H,43,48)(H,45,49)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50037004
PNG
(3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxym...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(=O)OCC
Show InChI InChI=1S/C42H69N3O9/c1-6-8-19-37(54-38(27-32-17-13-10-14-18-32)42(50)45-24-21-33(22-25-45)53-29-51-5)41(49)44-35(26-31-15-11-9-12-16-31)36(46)28-34(30(3)4)40(48)43-23-20-39(47)52-7-2/h10,13-14,17-18,30-31,33-38,46H,6-9,11-12,15-16,19-29H2,1-5H3,(H,43,48)(H,44,49)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 12n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50036990
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037012
PNG
(((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymet...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C39H64N4O8/c1-5-6-17-32(41-34(23-29-15-11-8-12-16-29)39(49)43-20-18-30(19-21-43)51-26-50-4)38(48)42-33(22-28-13-9-7-10-14-28)35(44)24-31(27(2)3)37(47)40-25-36(45)46/h8,11-12,15-16,27-28,30-35,41,44H,5-7,9-10,13-14,17-26H2,1-4H3,(H,40,47)(H,42,48)(H,45,46)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036998
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C43H73N5O6/c1-5-6-19-37(45-39(29-34-17-11-8-12-18-34)43(52)48-25-20-35(21-26-48)54-31-53-4)42(51)46-38(28-33-15-9-7-10-16-33)40(49)30-36(32(2)3)41(50)44-22-27-47-23-13-14-24-47/h8,11-12,17-18,32-33,35-40,45,49H,5-7,9-10,13-16,19-31H2,1-4H3,(H,44,50)(H,46,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036973
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H73N5O7/c1-5-6-17-37(45-39(29-34-15-11-8-12-16-34)43(52)48-21-18-35(19-22-48)55-31-53-4)42(51)46-38(28-33-13-9-7-10-14-33)40(49)30-36(32(2)3)41(50)44-20-23-47-24-26-54-27-25-47/h8,11-12,15-16,32-33,35-40,45,49H,5-7,9-10,13-14,17-31H2,1-4H3,(H,44,50)(H,46,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036981
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037017
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H68N4O6/c1-5-6-22-38(46-40(28-34-18-12-8-13-19-34)44(52)48-25-23-36(24-26-48)54-31-53-4)43(51)47-39(27-33-16-10-7-11-17-33)41(49)29-37(32(2)3)42(50)45-30-35-20-14-9-15-21-35/h8-9,12-15,18-21,32-33,36-41,46,49H,5-7,10-11,16-17,22-31H2,1-4H3,(H,45,50)(H,47,51)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037021
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C44H75N5O6/c1-5-6-20-38(46-40(30-35-18-12-8-13-19-35)44(53)49-26-21-36(22-27-49)55-32-54-4)43(52)47-39(29-34-16-10-7-11-17-34)41(50)31-37(33(2)3)42(51)45-23-28-48-24-14-9-15-25-48/h8,12-13,18-19,33-34,36-41,46,50H,5-7,9-11,14-17,20-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006198
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C44H75N5O7/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)49-23-19-36(20-24-49)56-32-54-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-22-48-25-27-55-28-26-48/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037005
PNG
(CHEMBL319424 | [2-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benz...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C47H73N5O8/c1-5-6-22-40(50-42(30-36-18-12-8-13-19-36)46(56)52-27-23-38(24-28-52)60-33-58-4)45(55)51-41(29-35-16-10-7-11-17-35)43(53)31-39(34(2)3)44(54)48-25-26-49-47(57)59-32-37-20-14-9-15-21-37/h8-9,12-15,18-21,34-35,38-43,50,53H,5-7,10-11,16-17,22-33H2,1-4H3,(H,48,54)(H,49,57)(H,51,55)/t39-,40-,41-,42-,43-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036982
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC[N+]1([O-])CCOCC1
Show InChI InChI=1S/C44H75N5O8/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)48-22-19-36(20-23-48)57-32-55-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-24-49(54)25-27-56-28-26-49/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037008
PNG
(((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymet...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C46H70N4O8/c1-5-6-22-39(48-41(28-35-18-12-8-13-19-35)46(55)50-25-23-37(24-26-50)58-32-56-4)45(54)49-40(27-34-16-10-7-11-17-34)42(51)29-38(33(2)3)44(53)47-30-43(52)57-31-36-20-14-9-15-21-36/h8-9,12-15,18-21,33-34,37-42,48,51H,5-7,10-11,16-17,22-32H2,1-4H3,(H,47,53)(H,49,54)/t38-,39-,40-,41-,42-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50037019
PNG
(3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxym...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(=O)OCc1ccccc1
Show InChI InChI=1S/C47H72N4O8/c1-5-6-22-40(49-42(30-36-18-12-8-13-19-36)47(56)51-27-24-38(25-28-51)59-33-57-4)46(55)50-41(29-35-16-10-7-11-17-35)43(52)31-39(34(2)3)45(54)48-26-23-44(53)58-32-37-20-14-9-15-21-37/h8-9,12-15,18-21,34-35,38-43,49,52H,5-7,10-11,16-17,22-33H2,1-4H3,(H,48,54)(H,50,55)/t39-,40-,41-,42-,43-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006179
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036976
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036997
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC1CCCCC1
Show InChI InChI=1S/C45H76N4O6/c1-5-6-22-39(47-41(30-36-20-14-9-15-21-36)45(53)49-27-24-37(25-28-49)55-32-54-4)44(52)48-40(29-35-18-12-8-13-19-35)42(50)31-38(33(2)3)43(51)46-26-23-34-16-10-7-11-17-34/h9,14-15,20-21,33-35,37-42,47,50H,5-8,10-13,16-19,22-32H2,1-4H3,(H,46,51)(H,48,52)/t38-,39-,40-,41-,42-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50036993
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1cccnc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-19-37(46-39(26-33-16-11-8-12-17-33)43(52)48-23-20-35(21-24-48)54-30-53-4)42(51)47-38(25-32-14-9-7-10-15-32)40(49)27-36(31(2)3)41(50)45-29-34-18-13-22-44-28-34/h8,11-13,16-18,22,28,31-32,35-40,46,49H,5-7,9-10,14-15,19-21,23-27,29-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036971
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccncc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-17-37(46-39(27-33-15-11-8-12-16-33)43(52)48-24-20-35(21-25-48)54-30-53-4)42(51)47-38(26-32-13-9-7-10-14-32)40(49)28-36(31(2)3)41(50)45-29-34-18-22-44-23-19-34/h8,11-12,15-16,18-19,22-23,31-32,35-40,46,49H,5-7,9-10,13-14,17,20-21,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036990
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the dog plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036981
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036973
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H73N5O7/c1-5-6-17-37(45-39(29-34-15-11-8-12-16-34)43(52)48-21-18-35(19-22-48)55-31-53-4)42(51)46-38(28-33-13-9-7-10-14-33)40(49)30-36(32(2)3)41(50)44-20-23-47-24-26-54-27-25-47/h8,11-12,15-16,32-33,35-40,45,49H,5-7,9-10,13-14,17-31H2,1-4H3,(H,44,50)(H,46,51)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006198
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C44H75N5O7/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)49-23-19-36(20-24-49)56-32-54-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-22-48-25-27-55-28-26-48/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006179
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036982
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC[N+]1([O-])CCOCC1
Show InChI InChI=1S/C44H75N5O8/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)48-22-19-36(20-23-48)57-32-55-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-24-49(54)25-27-56-28-26-49/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036976
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036993
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1cccnc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-19-37(46-39(26-33-16-11-8-12-17-33)43(52)48-23-20-35(21-24-48)54-30-53-4)42(51)47-38(25-32-14-9-7-10-15-32)40(49)27-36(31(2)3)41(50)45-29-34-18-13-22-44-28-34/h8,11-13,16-18,22,28,31-32,35-40,46,49H,5-7,9-10,14-15,19-21,23-27,29-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036971
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccncc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-17-37(46-39(27-33-15-11-8-12-16-33)43(52)48-24-20-35(21-25-48)54-30-53-4)42(51)47-38(26-32-13-9-7-10-14-32)40(49)28-36(31(2)3)41(50)45-29-34-18-22-44-23-19-34/h8,11-12,15-16,18-19,22-23,31-32,35-40,46,49H,5-7,9-10,13-14,17,20-21,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50036990
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the ferret plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036981
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036973
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H73N5O7/c1-5-6-17-37(45-39(29-34-15-11-8-12-16-34)43(52)48-21-18-35(19-22-48)55-31-53-4)42(51)46-38(28-33-13-9-7-10-14-33)40(49)30-36(32(2)3)41(50)44-20-23-47-24-26-54-27-25-47/h8,11-12,15-16,32-33,35-40,45,49H,5-7,9-10,13-14,17-31H2,1-4H3,(H,44,50)(H,46,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50006198
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C44H75N5O7/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)49-23-19-36(20-24-49)56-32-54-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-22-48-25-27-55-28-26-48/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036982
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC[N+]1([O-])CCOCC1
Show InChI InChI=1S/C44H75N5O8/c1-5-6-18-38(46-40(30-35-16-11-8-12-17-35)44(53)48-22-19-36(20-23-48)57-32-55-4)43(52)47-39(29-34-14-9-7-10-15-34)41(50)31-37(33(2)3)42(51)45-21-13-24-49(54)25-27-56-28-26-49/h8,11-12,16-17,33-34,36-41,46,50H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,51)(H,47,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036976
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50006179
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C43H70N6O6/c1-5-6-18-37(46-39(28-34-16-11-8-12-17-34)43(53)49-24-19-35(20-25-49)55-31-54-4)42(52)47-38(27-33-14-9-7-10-15-33)40(50)29-36(32(2)3)41(51)45-21-13-23-48-26-22-44-30-48/h8,11-12,16-17,22,26,30,32-33,35-40,46,50H,5-7,9-10,13-15,18-21,23-25,27-29,31H2,1-4H3,(H,45,51)(H,47,52)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036993
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1cccnc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-19-37(46-39(26-33-16-11-8-12-17-33)43(52)48-23-20-35(21-24-48)54-30-53-4)42(51)47-38(25-32-14-9-7-10-15-32)40(49)27-36(31(2)3)41(50)45-29-34-18-13-22-44-28-34/h8,11-13,16-18,22,28,31-32,35-40,46,49H,5-7,9-10,14-15,19-21,23-27,29-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036971
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccncc1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-17-37(46-39(27-33-15-11-8-12-16-33)43(52)48-24-20-35(21-25-48)54-30-53-4)42(51)47-38(26-32-13-9-7-10-14-32)40(49)28-36(31(2)3)41(50)45-29-34-18-22-44-23-19-34/h8,11-12,15-16,18-19,22-23,31-32,35-40,46,49H,5-7,9-10,13-14,17,20-21,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50036990
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the rat plasma renin


J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%