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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'hudspeth' and Initial = 'jp'   
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
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
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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n/an/a 3.20n/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))
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
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
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
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
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
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))
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
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))
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))
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
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))
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
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))
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))
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
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))
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))
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))
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))
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))
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))
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))
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 41n/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 41n/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
Renin


(Homo sapiens (Human))
BDBM50009903
PNG
(8-(3-Methyl-thioureido)-2-(3-naphthalen-1-yl-2-nap...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C47H65N5O4S/c1-6-33(4)31-50-44(54)30-43(53)42(27-32(2)3)52-46(56)41(25-9-7-8-14-26-49-47(57)48-5)51-45(55)38(28-36-21-15-19-34-17-10-12-23-39(34)36)29-37-22-16-20-35-18-11-13-24-40(35)37/h10-13,15-24,32-33,38,41-43,53H,6-9,14,25-31H2,1-5H3,(H,50,54)(H,51,55)(H,52,56)(H2,48,49,57)/t33?,41?,42?,43-/m0/s1
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n/an/a 44n/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))
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 44n/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))
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 45n/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))
BDBM50009917
PNG
(6-(3-Methyl-thioureido)-2-(3-naphthalen-1-yl-2-nap...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C48H65N5O4S/c1-4-33(2)32-51-45(55)31-44(54)43(28-34-16-6-5-7-17-34)53-47(57)42(26-12-13-27-50-48(58)49-3)52-46(56)39(29-37-22-14-20-35-18-8-10-24-40(35)37)30-38-23-15-21-36-19-9-11-25-41(36)38/h8-11,14-15,18-25,33-34,39,42-44,54H,4-7,12-13,16-17,26-32H2,1-3H3,(H,51,55)(H,52,56)(H,53,57)(H2,49,50,58)/t33?,42?,43?,44-/m0/s1
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n/an/a 47n/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))
BDBM50009920
PNG
(6-(3-Methyl-thioureido)-2-(3-naphthalen-1-yl-2-nap...)
Show SMILES CNC(=S)NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C49H62N6O5S/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,2-4,13-14,23-33,50H2,1H3,(H,53,58)(H,54,59)(H2,51,52,61)/t40?,43?,44?,45-/m0/s1
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n/an/a 48n/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))
BDBM50009903
PNG
(8-(3-Methyl-thioureido)-2-(3-naphthalen-1-yl-2-nap...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C47H65N5O4S/c1-6-33(4)31-50-44(54)30-43(53)42(27-32(2)3)52-46(56)41(25-9-7-8-14-26-49-47(57)48-5)51-45(55)38(28-36-21-15-19-34-17-10-12-23-39(34)36)29-37-22-16-20-35-18-11-13-24-40(35)37/h10-13,15-24,32-33,38,41-43,53H,6-9,14,25-31H2,1-5H3,(H,50,54)(H,51,55)(H,52,56)(H2,48,49,57)/t33?,41?,42?,43-/m0/s1
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n/an/a 48n/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 49n/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))
BDBM50009897
PNG
(3-Hydroxy-6-methyl-4-[2-(3-naphthalen-1-yl-2-napht...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(N)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C44H59N5O5/c1-5-30(4)28-47-41(51)27-40(50)39(24-29(2)3)49-43(53)38(22-10-11-23-46-44(45)54)48-42(52)35(25-33-18-12-16-31-14-6-8-20-36(31)33)26-34-19-13-17-32-15-7-9-21-37(32)34/h6-9,12-21,29-30,35,38-40,50H,5,10-11,22-28H2,1-4H3,(H,47,51)(H,48,52)(H,49,53)(H3,45,46,54)/t30?,38?,39?,40-/m0/s1
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n/an/a 50n/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))
BDBM50009906
PNG
(3-Hydroxy-6-methyl-4-[2-(3-naphthalen-1-yl-2-napht...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)Nc1ccccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C50H63N5O4S/c1-5-35(4)33-52-47(57)32-46(56)45(29-34(2)3)55-49(59)44(27-13-14-28-51-50(60)53-41-23-7-6-8-24-41)54-48(58)40(30-38-21-15-19-36-17-9-11-25-42(36)38)31-39-22-16-20-37-18-10-12-26-43(37)39/h6-12,15-26,34-35,40,44-46,56H,5,13-14,27-33H2,1-4H3,(H,52,57)(H,54,58)(H,55,59)(H2,51,53,60)/t35?,44?,45?,46-/m0/s1
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n/an/a 58n/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))
BDBM50009875
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)NC(CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C53H68N6O5S/c1-35(2)29-46(48(60)33-49(61)57-47(30-36(3)4)51(63)56-34-37-17-7-6-8-18-37)59-52(64)45(27-13-14-28-55-53(65)54-5)58-50(62)42(31-40-23-15-21-38-19-9-11-25-43(38)40)32-41-24-16-22-39-20-10-12-26-44(39)41/h6-12,15-26,35-36,42,45-48,60H,13-14,27-34H2,1-5H3,(H,56,63)(H,57,61)(H,58,62)(H,59,64)(H2,54,55,65)/t45?,46?,47?,48-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin; G means not measured


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))
BDBM50009899
PNG
(3-Hydroxy-4-[3-(3H-imidazol-4-yl)-2-(3-naphthalen-...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C43H53N5O4/c1-5-29(4)25-45-41(50)24-40(49)38(20-28(2)3)47-43(52)39(23-35-26-44-27-46-35)48-42(51)34(21-32-16-10-14-30-12-6-8-18-36(30)32)22-33-17-11-15-31-13-7-9-19-37(31)33/h6-19,26-29,34,38-40,49H,5,20-25H2,1-4H3,(H,44,46)(H,45,50)(H,47,52)(H,48,51)/t29?,38?,39?,40-/m0/s1
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n/an/a 61n/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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