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Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'tinney' and Initial = 'fj'   
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))
BDBM50009873
PNG
(6-Acetylamino-2-[2-(morpholine-4-sulfonylamino)-3-...)
Show SMILES CC(=O)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H59N7O9S/c1-28(46)40-17-9-8-14-32(41-38(50)34(25-30-12-6-3-7-13-30)43-55(51,52)45-19-21-53-22-20-45)37(49)42-33(24-29-10-4-2-5-11-29)35(47)26-36(48)44-18-23-54-31(27-44)15-16-39/h3,6-7,12-13,29,31-35,43,47H,2,4-5,10-11,14-27,39H2,1H3,(H,40,46)(H,41,50)(H,42,49)/t31?,32?,33?,34?,35-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027142
PNG
(1-{5-[(Furan-2-carbonyl)-amino]-4-oxo-6-phenyl-hex...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
Show InChI InChI=1S/C22H24N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,23,27)(H,28,29)/t16?,17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027132
PNG
(1-[5-Benzoylamino-6-(3,4-dimethoxy-phenyl)-4-oxo-h...)
Show SMILES COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(O)=O)cc1OC
Show InChI InChI=1S/C26H30N2O7/c1-34-22-12-10-17(16-23(22)35-2)15-19(27-25(31)18-7-4-3-5-8-18)21(29)11-13-24(30)28-14-6-9-20(28)26(32)33/h3-5,7-8,10,12,16,19-20H,6,9,11,13-15H2,1-2H3,(H,27,31)(H,32,33)/t19?,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009879
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H56N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009911
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@H](O)C(F)(F)C(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H62F2N8O8S2/c1-42-37(57)43-17-9-8-14-30(44-35(51)32(25-28-12-6-3-7-13-28)46-58(53,54)48-19-21-55-22-20-48)34(50)45-31(24-27-10-4-2-5-11-27)33(49)38(39,40)36(52)47-18-23-56-29(26-47)15-16-41/h3,6-7,12-13,27,29-33,46,49H,2,4-5,8-11,14-26,41H2,1H3,(H,44,51)(H,45,50)(H2,42,43,57)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009918
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H64N8O8S2/c1-40-38(55)41-17-9-8-14-31(42-37(50)33(25-29-12-6-3-7-13-29)44-56(51,52)46-19-21-53-22-20-46)36(49)43-32(24-28-10-4-2-5-11-28)34(47)26-35(48)45-18-23-54-30(27-45)15-16-39/h3,6-7,12-13,28,30-34,44,47H,2,4-5,8-11,14-27,39H2,1H3,(H,42,50)(H,43,49)(H2,40,41,55)/t30?,31?,32?,33?,34-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009900
PNG
(CHEMBL23944 | {5-{4-[2-(2-Amino-ethyl)-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)C(F)(F)C(=O)N1CCOC(CCN)C1
Show InChI InChI=1/C41H59F2N7O10S/c1-29(2)25-34(36(51)41(42,43)39(54)49-19-24-59-32(27-49)16-17-44)47-37(52)33(15-9-10-18-45-40(55)60-28-31-13-7-4-8-14-31)46-38(53)35(26-30-11-5-3-6-12-30)48-61(56,57)50-20-22-58-23-21-50/h3-8,11-14,29,32-35,48H,9-10,15-28,44H2,1-2H3,(H,45,55)(H,46,53)(H,47,52)
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n/an/a 3.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009885
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H60N8O8S2/c1-40-38(55)41-17-9-8-14-31(42-37(50)33(25-29-12-6-3-7-13-29)44-56(51,52)46-19-21-53-22-20-46)36(49)43-32(24-28-10-4-2-5-11-28)34(47)26-35(48)45-18-23-54-30(27-45)15-16-39/h3,6-7,12-13,28,30-34,44,47H,2,4-5,10-11,14-27,39H2,1H3,(H,42,50)(H,43,49)(H2,40,41,55)/t30?,31?,32?,33?,34-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009879
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H56N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027147
PNG
(1-[5-Benzoylamino-6-(4-hydroxy-phenyl)-4-oxo-hexan...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c27-18-10-8-16(9-11-18)15-19(25-23(30)17-5-2-1-3-6-17)21(28)12-13-22(29)26-14-4-7-20(26)24(31)32/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,25,30)(H,31,32)/t19?,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009884
PNG
(CHEMBL279921 | N-[1-{4-[2-(2-Amino-ethyl)-morpholi...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c37-12-11-29-24-43(13-18-52-29)34(46)22-33(45)30(19-26-7-3-1-4-8-26)40-35(47)31(21-28-23-38-25-39-28)41-36(48)32(20-27-9-5-2-6-10-27)42-53(49,50)44-14-16-51-17-15-44/h2,5-6,9-10,23,25-26,29-33,42,45H,1,3-4,7-8,11-22,24,37H2,(H,38,39)(H,40,47)(H,41,48)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009884
PNG
(CHEMBL279921 | N-[1-{4-[2-(2-Amino-ethyl)-morpholi...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c37-12-11-29-24-43(13-18-52-29)34(46)22-33(45)30(19-26-7-3-1-4-8-26)40-35(47)31(21-28-23-38-25-39-28)41-36(48)32(20-27-9-5-2-6-10-27)42-53(49,50)44-14-16-51-17-15-44/h2,5-6,9-10,23,25-26,29-33,42,45H,1,3-4,7-8,11-22,24,37H2,(H,38,39)(H,40,47)(H,41,48)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027144
PNG
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C23H25N3O5/c27-20(10-11-21(28)26-13-5-9-19(26)23(30)31)18(14-16-6-4-12-24-15-16)25-22(29)17-7-2-1-3-8-17/h1-4,6-8,12,15,18-19H,5,9-11,13-14H2,(H,25,29)(H,30,31)/t18?,19-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016033
PNG
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009872
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H60N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,11-12,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50368166
PNG
(Accupril | QUINAPRIL)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/s2
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n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum


J Med Chem 28: 1291-5 (1985)


Article DOI: 10.1021/jm00147a030
BindingDB Entry DOI: 10.7270/Q2GF0V34
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009915
PNG
(6-Formylamino-2-(3-naphthalen-1-yl-2-naphthalen-1-...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CC#CCNC=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C48H59N5O6/c49-24-23-40-32-53(26-27-59-40)46(56)31-45(55)44(28-34-12-2-1-3-13-34)52-48(58)43(22-8-9-25-50-33-54)51-47(57)39(29-37-18-10-16-35-14-4-6-20-41(35)37)30-38-19-11-17-36-15-5-7-21-42(36)38/h4-7,10-11,14-21,33-34,39-40,43-45,55H,1-3,12-13,22-32,49H2,(H,50,54)(H,51,57)(H,52,58)/t40?,43?,44?,45-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009916
PNG
(6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen-1-...)
Show SMILES CC(=O)NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C49H61N5O6/c1-34(55)51-26-10-9-23-44(49(59)53-45(29-35-13-3-2-4-14-35)46(56)32-47(57)54-27-28-60-41(33-54)24-25-50)52-48(58)40(30-38-19-11-17-36-15-5-7-21-42(36)38)31-39-20-12-18-37-16-6-8-22-43(37)39/h5-8,11-12,15-22,35,40-41,44-46,56H,2-4,13-14,23-33,50H2,1H3,(H,51,55)(H,52,58)(H,53,59)/t41?,44?,45?,46-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027146
PNG
(1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hex...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C31H32N2O6/c34-28(17-18-29(35)33-19-7-12-27(33)31(37)38)26(32-30(36)24-10-5-2-6-11-24)20-22-13-15-25(16-14-22)39-21-23-8-3-1-4-9-23/h1-6,8-11,13-16,26-27H,7,12,17-21H2,(H,32,36)(H,37,38)/t26?,27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009892
PNG
(4-[4-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C43H56N4O5/c1-6-29(4)27-45-41(50)26-40(49)39(23-28(2)3)47-43(52)38(21-22-44-30(5)48)46-42(51)35(24-33-17-11-15-31-13-7-9-19-36(31)33)25-34-18-12-16-32-14-8-10-20-37(32)34/h7-20,28-29,35,38-40,49H,6,21-27H2,1-5H3,(H,44,48)(H,45,50)(H,46,51)(H,47,52)/t29?,38?,39?,40-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009904
PNG
(CHEMBL23501 | {5-{4-[2-(2-Amino-ethyl)-morpholin-4...)
Show SMILES CC(C)(C)OC(=O)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C41H65N7O10S/c1-41(2,3)58-40(53)43-19-11-10-16-33(44-39(52)35(27-31-14-8-5-9-15-31)46-59(54,55)48-21-23-56-24-22-48)38(51)45-34(26-30-12-6-4-7-13-30)36(49)28-37(50)47-20-25-57-32(29-47)17-18-42/h5,8-9,14-15,30,32-36,46,49H,4,6-7,12-13,16-29,42H2,1-3H3,(H,43,53)(H,44,52)(H,45,51)/t32?,33?,34?,35?,36-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009894
PNG
(6-(N'-nitro-guanidino)-2-(3-naphthalen-1-yl-2-naph...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CC#CCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C48H60N8O7/c49-24-23-39-32-55(26-27-63-39)45(58)31-44(57)43(28-33-12-2-1-3-13-33)53-47(60)42(22-8-9-25-51-48(50)54-56(61)62)52-46(59)38(29-36-18-10-16-34-14-4-6-20-40(34)36)30-37-19-11-17-35-15-5-7-21-41(35)37/h4-7,10-11,14-21,33,38-39,42-44,57H,1-3,12-13,22-32,49H2,(H,52,59)(H,53,60)(H3,50,51,54)/t39?,42?,43?,44-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009905
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H61N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021049
PNG
((S,S)-2-[2-(1-Ethoxycarbonyl-3-phenyl-propoxy)-pro...)
Show SMILES CCOC(=O)C(CCc1ccccc1)OC(C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1/C25H29NO6/c1-3-31-25(30)22(14-13-18-9-5-4-6-10-18)32-17(2)23(27)26-16-20-12-8-7-11-19(20)15-21(26)24(28)29/h4-12,17,21-22H,3,13-16H2,1-2H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum


J Med Chem 28: 1291-5 (1985)


Article DOI: 10.1021/jm00147a030
BindingDB Entry DOI: 10.7270/Q2GF0V34
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009877
PNG
(1N-[4-[2-(2-aminoethyl)-1,4-oxazinan-4-yl]-1-cyclo...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C36H62N8O7S2/c1-38-36(52)39-19-11-10-16-29(40-35(48)31(42-53(49,50)43(2)3)23-27-14-8-5-9-15-27)34(47)41-30(22-26-12-6-4-7-13-26)32(45)24-33(46)44-20-21-51-28(25-44)17-18-37/h5,8-9,14-15,26,28-32,42,45H,4,6-7,10-13,16-25,37H2,1-3H3,(H,40,48)(H,41,47)(H2,38,39,52)/t28?,29?,30?,31?,32-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009890
PNG
(1N-(1-benzylcarbamoyl-3-methylbutyl)-4-{5-amino(cy...)
Show SMILES CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[C@@H](O)CC(=O)NC(CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C52H66N8O7/c1-34(2)28-45(47(61)32-48(62)56-46(29-35(3)4)50(64)55-33-36-16-6-5-7-17-36)58-51(65)44(26-12-13-27-54-52(53)59-60(66)67)57-49(63)41(30-39-22-14-20-37-18-8-10-24-42(37)39)31-40-23-15-21-38-19-9-11-25-43(38)40/h5-11,14-25,34-35,41,44-47,61H,12-13,26-33H2,1-4H3,(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H3,53,54,59)/t44?,45?,46?,47-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009877
PNG
(1N-[4-[2-(2-aminoethyl)-1,4-oxazinan-4-yl]-1-cyclo...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C36H62N8O7S2/c1-38-36(52)39-19-11-10-16-29(40-35(48)31(42-53(49,50)43(2)3)23-27-14-8-5-9-15-27)34(47)41-30(22-26-12-6-4-7-13-26)32(45)24-33(46)44-20-21-51-28(25-44)17-18-37/h5,8-9,14-15,26,28-32,42,45H,4,6-7,10-13,16-25,37H2,1-3H3,(H,40,48)(H,41,47)(H2,38,39,52)/t28?,29?,30?,31?,32-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027154
PNG
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)
Show SMILES O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(Cc1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H31N3O5/c34-27(25(19-23-11-7-17-31-20-23)32-29(36)24-12-5-2-6-13-24)15-16-28(35)33-18-8-14-26(33)30(37)38-21-22-9-3-1-4-10-22/h1-7,9-13,17,20,25-26H,8,14-16,18-19,21H2,(H,32,36)/t25?,26-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009878
PNG
(1N-(2-methylbutyl)-3-hydroxy-4-{5-iminocyano(methy...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(SC)=NC#N)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C46H60N6O4S/c1-6-32(4)29-49-43(54)28-42(53)41(25-31(2)3)52-45(56)40(23-11-12-24-48-46(57-5)50-30-47)51-44(55)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,31-32,37,40-42,53H,6,11-12,23-29H2,1-5H3,(H,48,50)(H,49,54)(H,51,55)(H,52,56)/t32?,40?,41?,42-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009887
PNG
(1N-(2-methylbutyl)-4-{6-amino(nitro)(imino)methyla...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H61N7O6/c1-5-31(4)29-48-42(54)28-41(53)40(25-30(2)3)50-44(56)39(23-7-6-12-24-47-45(46)51-52(57)58)49-43(55)36(26-34-19-13-17-32-15-8-10-21-37(32)34)27-35-20-14-18-33-16-9-11-22-38(33)35/h8-11,13-22,30-31,36,39-41,53H,5-7,12,23-29H2,1-4H3,(H,48,54)(H,49,55)(H,50,56)(H3,46,47,51)/t31?,39?,40?,41-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009908
PNG
(6-(3-Methyl-thioureido)-2-(4-morpholin-4-yl-2-naph...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C44H67N7O7S/c1-46-44(59)47-19-8-7-16-37(43(56)49-38(26-31-10-3-2-4-11-31)39(52)29-41(54)51-22-25-58-35(30-51)17-18-45)48-42(55)34(28-40(53)50-20-23-57-24-21-50)27-33-14-9-13-32-12-5-6-15-36(32)33/h5-6,9,12-15,31,34-35,37-39,52H,2-4,7-8,10-11,16-30,45H2,1H3,(H,48,55)(H,49,56)(H2,46,47,59)/t34?,35?,37?,38?,39-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027133
PNG
(1-{4-Oxo-6-phenyl-5-[(tetrahydro-furan-2-carbonyl)...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)C1CCCO1
Show InChI InChI=1S/C22H28N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,23,27)(H,28,29)/t16?,17-,19?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016034
PNG
((4-{3-[1-(4-Aminomethyl-benzylcarbamoyl)-3-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)CCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C42H65N5O7/c1-28(2)22-35(40(52)44-27-32-18-16-31(26-43)17-19-32)46-39(51)25-37(49)34(24-30-14-10-7-11-15-30)45-38(50)21-20-36(48)33(23-29-12-8-6-9-13-29)47-41(53)54-42(3,4)5/h6,8-9,12-13,16-19,28,30,33-37,48-49H,7,10-11,14-15,20-27,43H2,1-5H3,(H,44,52)(H,45,50)(H,46,51)(H,47,53)/t33-,34?,35-,36?,37+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009905
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H61N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021038
PNG
((S,S)-1-[2-(1-Ethoxycarbonyl-3-phenyl-propoxy)-pro...)
Show SMILES CCOC(=O)C(CCc1ccccc1)OC(C)C(=O)N1C2CCCCC2CC1C(O)=O
Show InChI InChI=1/C24H33NO6/c1-3-30-24(29)21(14-13-17-9-5-4-6-10-17)31-16(2)22(26)25-19-12-8-7-11-18(19)15-20(25)23(27)28/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3,(H,27,28)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum


J Med Chem 28: 1291-5 (1985)


Article DOI: 10.1021/jm00147a030
BindingDB Entry DOI: 10.7270/Q2GF0V34
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009887
PNG
(1N-(2-methylbutyl)-4-{6-amino(nitro)(imino)methyla...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H61N7O6/c1-5-31(4)29-48-42(54)28-41(53)40(25-30(2)3)50-44(56)39(23-7-6-12-24-47-45(46)51-52(57)58)49-43(55)36(26-34-19-13-17-32-15-8-10-21-37(32)34)27-35-20-14-18-33-16-9-11-22-38(33)35/h8-11,13-22,30-31,36,39-41,53H,5-7,12,23-29H2,1-4H3,(H,48,54)(H,49,55)(H,50,56)(H3,46,47,51)/t31?,39?,40?,41-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009909
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(C\C=C\CNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H59N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-22,30-31,36,39-41,51H,6,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/b12-11+/t31?,39?,40?,41-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009889
PNG
(2-[2-(2-Methyl-propane-2-sulfonyl)-3-phenyl-propio...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)S(=O)(=O)C(C)(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H64N6O7S2/c1-38(2,3)53(49,50)33(24-28-15-9-6-10-16-28)36(48)42-30(17-11-12-20-41-37(52)40-4)35(47)43-31(23-27-13-7-5-8-14-27)32(45)25-34(46)44-21-22-51-29(26-44)18-19-39/h6,9-10,15-16,27,29-33,45H,5,7-8,11-14,17-26,39H2,1-4H3,(H,42,48)(H,43,47)(H2,40,41,52)/t29?,30?,31?,32-,33?/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027152
PNG
(2-(5-Benzoylamino-4-oxo-6-phenyl-hexanoylamino)-3-...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O5/c31-25(16-17-26(32)29-24(28(34)35)19-21-12-6-2-7-13-21)23(18-20-10-4-1-5-11-20)30-27(33)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)(H,34,35)/t23?,24-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009883
PNG
(6-(3-Methyl-thioureido)-2-(3-naphthalen-1-yl-2-nap...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C49H66N6O5S/c1-51-49(61)52-26-10-9-23-43(48(59)54-44(29-34-13-3-2-4-14-34)45(56)32-46(57)55-27-28-60-40(33-55)24-25-50)53-47(58)39(30-37-19-11-17-35-15-5-7-21-41(35)37)31-38-20-12-18-36-16-6-8-22-42(36)38/h5-8,11-12,15-22,34,39-40,43-45,56H,2-4,9-10,13-14,23-33,50H2,1H3,(H,53,58)(H,54,59)(H2,51,52,61)/t40?,43?,44?,45-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009902
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-ureido)-2-(3-nap...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=O)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H61N5O5/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009879
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H56N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009908
PNG
(6-(3-Methyl-thioureido)-2-(4-morpholin-4-yl-2-naph...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C44H67N7O7S/c1-46-44(59)47-19-8-7-16-37(43(56)49-38(26-31-10-3-2-4-11-31)39(52)29-41(54)51-22-25-58-35(30-51)17-18-45)48-42(55)34(28-40(53)50-20-23-57-24-21-50)27-33-14-9-13-32-12-5-6-15-36(32)33/h5-6,9,12-15,31,34-35,37-39,52H,2-4,7-8,10-11,16-30,45H2,1H3,(H,48,55)(H,49,56)(H2,46,47,59)/t34?,35?,37?,38?,39-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009872
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H60N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,11-12,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009881
PNG
(3-Hydroxy-6-methyl-4-[7-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C46H63N5O4S/c1-6-32(4)30-49-43(53)29-42(52)41(26-31(2)3)51-45(55)40(24-8-7-13-25-48-46(56)47-5)50-44(54)37(27-35-20-14-18-33-16-9-11-22-38(33)35)28-36-21-15-19-34-17-10-12-23-39(34)36/h9-12,14-23,31-32,37,40-42,52H,6-8,13,24-30H2,1-5H3,(H,49,53)(H,50,54)(H,51,55)(H2,47,48,56)/t32?,40?,41?,42-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009881
PNG
(3-Hydroxy-6-methyl-4-[7-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C46H63N5O4S/c1-6-32(4)30-49-43(53)29-42(52)41(26-31(2)3)51-45(55)40(24-8-7-13-25-48-46(56)47-5)50-44(54)37(27-35-20-14-18-33-16-9-11-22-38(33)35)28-36-21-15-19-34-17-10-12-23-39(34)36/h9-12,14-23,31-32,37,40-42,52H,6-8,13,24-30H2,1-5H3,(H,49,53)(H,50,54)(H,51,55)(H2,47,48,56)/t32?,40?,41?,42-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009891
PNG
(1N-[4-[2-(2-aminoethyl)-1,4-oxazinan-4-yl]-2-hydro...)
Show SMILES CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C45H60N8O7/c1-30(2)25-40(41(54)28-42(55)52-23-24-60-36(29-52)20-21-46)50-44(57)39(19-7-8-22-48-45(47)51-53(58)59)49-43(56)35(26-33-15-9-13-31-11-3-5-17-37(31)33)27-34-16-10-14-32-12-4-6-18-38(32)34/h3-6,9-18,30,35-36,39-41,54H,7-8,19-29,46H2,1-2H3,(H,49,56)(H,50,57)(H3,47,48,51)/t36?,39?,40?,41-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009909
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(C\C=C\CNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H59N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-22,30-31,36,39-41,51H,6,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/b12-11+/t31?,39?,40?,41-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
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