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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'lara' and Initial = 'e'   
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))
BDBM50014049
PNG
(CHEMBL287953 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES C[C@H]1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H49N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-22,25-29,40H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t21-,25-,26-,27-,28-,29+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006122
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H52N4O6S/c1-24(2)17-31(40)33(42)29(19-26-11-7-4-8-12-26)37-35(44)30(21-28-22-46-23-36-28)38-34(43)27(18-25-9-5-3-6-10-25)20-32(41)39-13-15-45-16-14-39/h3,5-6,9-10,22-24,26-27,29-31,33,40,42H,4,7-8,11-21H2,1-2H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 0.360n/an/an/an/a6.0n/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renin at a pH of 6.0.


J Med Chem 35: 1710-21 (1992)


BindingDB Entry DOI: 10.7270/Q2GT5M4C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014052
PNG
(CHEMBL445350 | {1-[1-(4-Azido-1-cyclohexylmethyl-2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN=[N+]=[N-]
Show InChI InChI=1S/C31H46N8O6/c1-31(2,3)45-30(44)38-24(15-21-12-8-5-9-13-21)28(42)37-25(16-22-17-33-19-34-22)29(43)36-23(14-20-10-6-4-7-11-20)27(41)26(40)18-35-39-32/h5,8-9,12-13,17,19-20,23-27,40-41H,4,6-7,10-11,14-16,18H2,1-3H3,(H,33,34)(H,36,43)(H,37,42)(H,38,44)/t23-,24-,25-,26-,27+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006125
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)C(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H49N3O4S/c1-25(2)18-33(40)34(41)31(21-28-16-10-5-11-17-28)38-36(43)32(22-30-23-44-24-37-30)39-35(42)29(19-26-12-6-3-7-13-26)20-27-14-8-4-9-15-27/h3-4,6-9,12-15,23-25,28-29,31-34,40-41H,5,10-11,16-22H2,1-2H3,(H,38,43)(H,39,42)/t31-,32-,33-,34+/m0/s1
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n/an/a 0.470n/an/an/an/a6.0n/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renin at a pH of 6.0.


J Med Chem 35: 1710-21 (1992)


BindingDB Entry DOI: 10.7270/Q2GT5M4C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014059
PNG
(CHEMBL38954 | {1-[1-[1-Cyclohexylmethyl-2-(3-ethyl...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H50N6O7/c1-5-40-20-28(46-33(40)45)29(41)25(16-22-12-8-6-9-13-22)37-31(43)27(18-24-19-35-21-36-24)38-30(42)26(17-23-14-10-7-11-15-23)39-32(44)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006138
PNG
(2-(Morpholine-4-carbonyl)-3-phenyl-cyclopropanecar...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C35H50N4O6S/c1-22(2)17-28(40)32(41)26(18-23-9-5-3-6-10-23)37-33(42)27(19-25-20-46-21-36-25)38-34(43)30-29(24-11-7-4-8-12-24)31(30)35(44)39-13-15-45-16-14-39/h4,7-8,11-12,20-23,26-32,40-41H,3,5-6,9-10,13-19H2,1-2H3,(H,37,42)(H,38,43)/t26-,27-,28-,29+,30+,31+,32+/m0/s1
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n/an/a 0.700n/an/an/an/a6.0n/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at pH 7.4


J Med Chem 35: 1710-21 (1992)


BindingDB Entry DOI: 10.7270/Q2GT5M4C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014060
PNG
(CHEMBL288346 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1
Show InChI InChI=1S/C34H50N6O8/c1-34(2,3)48-32(45)39-26(17-23-12-8-5-9-13-23)30(43)38-27(18-24-19-35-21-36-24)31(44)37-25(16-22-10-6-4-7-11-22)29(42)28-20-40(14-15-41)33(46)47-28/h5,8-9,12-13,19,21-22,25-29,41-42H,4,6-7,10-11,14-18,20H2,1-3H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014048
PNG
(CHEMBL41303 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C34H47N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-20,22,25-29,40H,1,5,7-8,11-12,15-18H2,2-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405497
PNG
(CHEMBL2115482)
Show SMILES CC(C)CNC(=O)[C@](O)(CCl)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H57ClN6O7/c1-24(2)20-40-34(48)37(50,22-38)19-31(45)28(16-25-12-8-6-9-13-25)42-33(47)30(18-27-21-39-23-41-27)43-32(46)29(17-26-14-10-7-11-15-26)44-35(49)51-36(3,4)5/h7,10-11,14-15,21,23-25,28-31,45,50H,6,8-9,12-13,16-20,22H2,1-5H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)(H,44,49)/t28-,29-,30-,31-,37+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014053
PNG
(CHEMBL416429 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)N1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H52N6O7/c1-22(2)41-20-29(47-34(41)46)30(42)26(16-23-12-8-6-9-13-23)38-32(44)28(18-25-19-36-21-37-25)39-31(43)27(17-24-14-10-7-11-15-24)40-33(45)48-35(3,4)5/h7,10-11,14-15,19,21-23,26-30,42H,6,8-9,12-13,16-18,20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014063
PNG
(CHEMBL290215 | {1-[1-[1-Cyclohexylmethyl-2-(4,4-di...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)C(=O)O1
Show InChI InChI=1S/C35H51N5O7/c1-34(2,3)47-33(45)40-26(17-23-14-10-7-11-15-23)30(42)39-27(18-24-20-36-21-37-24)31(43)38-25(16-22-12-8-6-9-13-22)29(41)28-19-35(4,5)32(44)46-28/h7,10-11,14-15,20-22,25-29,41H,6,8-9,12-13,16-19H2,1-5H3,(H,36,37)(H,38,43)(H,39,42)(H,40,45)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014054
PNG
((5R){1-[1-[1-Cyclohexylmethyl-2-hydroxy-2-(3-metho...)
Show SMILES CON1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H48N6O8/c1-33(2,3)47-31(43)38-25(16-22-13-9-6-10-14-22)29(41)37-26(17-23-18-34-20-35-23)30(42)36-24(15-21-11-7-5-8-12-21)28(40)27-19-39(45-4)32(44)46-27/h6,9-10,13-14,18,20-21,24-28,40H,5,7-8,11-12,15-17,19H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t24-,25-,26-,27-,28+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50406090
PNG
(CHEMBL2112610)
Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H63N3O6/c1-8-9-12-21-31(25-35(44)33(24-30-19-15-11-16-20-30)42-38(47)48-39(5,6)7)37(46)41-32(23-29-17-13-10-14-18-29)34(43)22-28(4)36(45)40-26-27(2)3/h8,11,15-16,19-20,27,29,31-35,43-44H,1,4,9-10,12-14,17-18,21-26H2,2-3,5-7H3,(H,40,45)(H,41,46)(H,42,47)/t31-,32+,33+,34+,35-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014056
PNG
(CHEMBL290605 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CCCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H52N6O7/c1-5-16-41-21-29(47-34(41)46)30(42)26(17-23-12-8-6-9-13-23)38-32(44)28(19-25-20-36-22-37-25)39-31(43)27(18-24-14-10-7-11-15-24)40-33(45)48-35(2,3)4/h7,10-11,14-15,20,22-23,26-30,42H,5-6,8-9,12-13,16-19,21H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405496
PNG
(CHEMBL2115483)
Show SMILES CC(C)CNC(=O)[C@](O)(CN=[N+]=[N-])C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H57N9O7/c1-24(2)20-40-34(50)37(52,22-42-46-38)19-31(47)28(16-25-12-8-6-9-13-25)43-33(49)30(18-27-21-39-23-41-27)44-32(48)29(17-26-14-10-7-11-15-26)45-35(51)53-36(3,4)5/h7,10-11,14-15,21,23-25,28-31,47,52H,6,8-9,12-13,16-20,22H2,1-5H3,(H,39,41)(H,40,50)(H,43,49)(H,44,48)(H,45,51)/t28-,29-,30-,31-,37+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006123
PNG
(2,3-Diphenyl-cyclopropanecarboxylic acid [1-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)C1[C@@H]([C@@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H47N3O4S/c1-23(2)18-30(40)34(41)28(19-24-12-6-3-7-13-24)38-35(42)29(20-27-21-44-22-37-27)39-36(43)33-31(25-14-8-4-9-15-25)32(33)26-16-10-5-11-17-26/h4-5,8-11,14-17,21-24,28-34,40-41H,3,6-7,12-13,18-20H2,1-2H3,(H,38,42)(H,39,43)/t28-,29-,30-,31-,32+,33?,34+/m0/s1
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n/an/a 1.10n/an/an/an/a6.0n/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renin at a pH of 6.0.


J Med Chem 35: 1710-21 (1992)


BindingDB Entry DOI: 10.7270/Q2GT5M4C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014047
PNG
(CHEMBL291119 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES C[C@@H]1CO[C@@H](C1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N5O6/c1-22-15-29(44-20-22)30(40)26(16-23-11-7-5-8-12-23)37-32(42)28(18-25-19-35-21-36-25)38-31(41)27(17-24-13-9-6-10-14-24)39-33(43)45-34(2,3)4/h6,9-10,13-14,19,21-23,26-30,40H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t22-,26-,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014051
PNG
(CHEMBL273771 | {1-[1-[1-Cyclohexylmethyl-2-(1-ethy...)
Show SMILES CCN1C[C@H](NC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N7O6/c1-5-41-20-28(39-32(41)45)29(42)25(16-22-12-8-6-9-13-22)37-31(44)27(18-24-19-35-21-36-24)38-30(43)26(17-23-14-10-7-11-15-23)40-33(46)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,42H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,27-,28-,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014045
PNG
(CHEMBL40053 | {1-[1-[1-Cyclohexylmethyl-2-(3-ethox...)
Show SMILES CCON1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H50N6O8/c1-5-46-40-20-28(47-33(40)45)29(41)25(16-22-12-8-6-9-13-22)37-31(43)27(18-24-19-35-21-36-24)38-30(42)26(17-23-14-10-7-11-15-23)39-32(44)48-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014055
PNG
(CHEMBL288347 | {1-[1-[1-Cyclohexylmethyl-2-(5-ethy...)
Show SMILES CCN1C[C@H](NS1(=O)=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H51N7O7S/c1-5-40-20-28(39-48(40,45)46)29(41)25(16-22-12-8-6-9-13-22)36-31(43)27(18-24-19-34-21-35-24)37-30(42)26(17-23-14-10-7-11-15-23)38-32(44)47-33(2,3)4/h7,10-11,14-15,19,21-22,25-29,39,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,34,35)(H,36,43)(H,37,42)(H,38,44)/t25-,26-,27-,28-,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014057
PNG
(CHEMBL288272 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H48N6O7/c1-33(2,3)46-31(43)38-25(16-22-13-9-6-10-14-22)29(41)37-26(17-23-18-34-20-35-23)30(42)36-24(15-21-11-7-5-8-12-21)28(40)27-19-39(4)32(44)45-27/h6,9-10,13-14,18,20-21,24-28,40H,5,7-8,11-12,15-17,19H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t24-,25-,26-,27-,28+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014062
PNG
(CHEMBL289144 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)ON1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H52N6O8/c1-22(2)49-41-20-29(47-34(41)46)30(42)26(16-23-12-8-6-9-13-23)38-32(44)28(18-25-19-36-21-37-25)39-31(43)27(17-24-14-10-7-11-15-24)40-33(45)48-35(3,4)5/h7,10-11,14-15,19,21-23,26-30,42H,6,8-9,12-13,16-18,20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t26-,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023115
PNG
(CHEMBL3144521 | {1-[1-[1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CC(C)CCNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H58N6O6/c1-25(2)17-18-40-34(46)26(3)19-33(45)30(20-27-13-9-7-10-14-27)42-36(48)32(22-29-23-39-24-41-29)43-35(47)31(21-28-15-11-8-12-16-28)44-37(49)50-38(4,5)6/h8,11-12,15-16,23-25,27,30-33,45H,3,7,9-10,13-14,17-22H2,1-2,4-6H3,(H,39,41)(H,40,46)(H,42,48)(H,43,47)(H,44,49)/t30-,31?,32?,33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011713
PNG
(CHEMBL430933 | {1-[1-(1-Cyclohexylmethyl-2,3-dihyd...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O6/c1-22(2)16-29(40)30(41)26(17-23-12-8-6-9-13-23)37-32(43)28(19-25-20-35-21-36-25)38-31(42)27(18-24-14-10-7-11-15-24)39-33(44)45-34(3,4)5/h7,10-11,14-15,20-23,26-30,40-41H,6,8-9,12-13,16-19H2,1-5H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t26-,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023100
PNG
(6-Cyclohexyl-5-[2-[2-(3,3-dimethyl-butyrylamino)-3...)
Show SMILES CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C
Show InChI InChI=1S/C35H52N6O5/c1-23(32(44)36-5)16-30(42)27(17-24-12-8-6-9-13-24)40-34(46)29(19-26-21-37-22-38-26)41-33(45)28(18-25-14-10-7-11-15-25)39-31(43)20-35(2,3)4/h7,10-11,14-15,21-22,24,27-30,42H,1,6,8-9,12-13,16-20H2,2-5H3,(H,36,44)(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28?,29?,30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023119
PNG
(CHEMBL3144513 | {1-[1-(1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H56N6O6/c1-24(2)21-39-33(45)25(3)17-32(44)29(18-26-13-9-7-10-14-26)41-35(47)31(20-28-22-38-23-40-28)42-34(46)30(19-27-15-11-8-12-16-27)43-36(48)49-37(4,5)6/h8,11-12,15-16,22-24,26,29-32,44H,3,7,9-10,13-14,17-21H2,1-2,4-6H3,(H,38,40)(H,39,45)(H,41,47)(H,42,46)(H,43,48)/t29-,30?,31?,32-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016000
PNG
((2RS)-[{1-[1-(1-Cyclohexylmethyl-2-hydroxy-4-isobu...)
Show SMILES CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
Show InChI InChI=1S/C37H60N4O6/c1-8-9-20-29(39-35(45)31(23-28-18-14-11-15-19-28)41-36(46)47-37(5,6)7)34(44)40-30(22-27-16-12-10-13-17-27)32(42)21-26(4)33(43)38-24-25(2)3/h11,14-15,18-19,25,27,29-32,42H,4,8-10,12-13,16-17,20-24H2,1-3,5-7H3,(H,38,43)(H,39,45)(H,40,44)(H,41,46)/t29?,30-,31-,32-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50015989
PNG
((2S)-{1-[1-(1-Cyclohexylmethyl-2-hydroxy-4-isobuty...)
Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H56N6O6/c1-24(2)21-39-33(45)25(3)17-32(44)29(18-26-13-9-7-10-14-26)41-35(47)31(20-28-22-38-23-40-28)42-34(46)30(19-27-15-11-8-12-16-27)43-36(48)49-37(4,5)6/h8,11-12,15-16,22-24,26,29-32,44H,3,7,9-10,13-14,17-21H2,1-2,4-6H3,(H,38,40)(H,39,45)(H,41,47)(H,42,46)(H,43,48)/t29-,30-,31?,32-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006128
PNG
(2-Isobutyl-3-(morpholine-4-carbonyl)-cyclopropanec...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](CC(C)C)[C@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C33H54N4O6S/c1-20(2)14-24-28(29(24)33(42)37-10-12-43-13-11-37)32(41)36-26(17-23-18-44-19-34-23)31(40)35-25(16-22-8-6-5-7-9-22)30(39)27(38)15-21(3)4/h18-22,24-30,38-39H,5-17H2,1-4H3,(H,35,40)(H,36,41)/t24-,25+,26+,27+,28-,29-,30-/m1/s1
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University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renin at a pH of 6.0.


J Med Chem 35: 1710-21 (1992)


BindingDB Entry DOI: 10.7270/Q2GT5M4C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014049
PNG
(CHEMBL287953 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES C[C@H]1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H49N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-22,25-29,40H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t21-,25-,26-,27-,28-,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006132
PNG
(CHEMBL297929 | [1-[1-(1-Cyclohexylmethyl-2,3-dihyd...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H52IN3O6/c1-6-42-32(41)36-27(19-23-12-14-24(33)15-13-23)31(40)35-26(16-20(2)3)30(39)34-25(18-22-10-8-7-9-11-22)29(38)28(37)17-21(4)5/h12-15,20-22,25-29,37-38H,6-11,16-19H2,1-5H3,(H,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 2.40n/an/an/an/a6.0n/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renin at a pH of 6.0.


J Med Chem 35: 1710-21 (1992)


BindingDB Entry DOI: 10.7270/Q2GT5M4C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014063
PNG
(CHEMBL290215 | {1-[1-[1-Cyclohexylmethyl-2-(4,4-di...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)C(=O)O1
Show InChI InChI=1S/C35H51N5O7/c1-34(2,3)47-33(45)40-26(17-23-14-10-7-11-15-23)30(42)39-27(18-24-20-36-21-37-24)31(43)38-25(16-22-12-8-6-9-13-22)29(41)28-19-35(4,5)32(44)46-28/h7,10-11,14-15,20-22,25-29,41H,6,8-9,12-13,16-19H2,1-5H3,(H,36,37)(H,38,43)(H,39,42)(H,40,45)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014059
PNG
(CHEMBL38954 | {1-[1-[1-Cyclohexylmethyl-2-(3-ethyl...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H50N6O7/c1-5-40-20-28(46-33(40)45)29(41)25(16-22-12-8-6-9-13-22)37-31(43)27(18-24-19-35-21-36-24)38-30(42)26(17-23-14-10-7-11-15-23)39-32(44)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014047
PNG
(CHEMBL291119 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES C[C@@H]1CO[C@@H](C1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N5O6/c1-22-15-29(44-20-22)30(40)26(16-23-11-7-5-8-12-23)37-32(42)28(18-25-19-35-21-36-25)38-31(41)27(17-24-13-9-6-10-14-24)39-33(43)45-34(2,3)4/h6,9-10,13-14,19,21-23,26-30,40H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t22-,26-,27-,28-,29-,30+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023105
PNG
(CHEMBL3144524 | {1-[1-[1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCCC(C)C
Show InChI InChI=1S/C36H54N6O6/c1-5-48-36(47)42-30(20-27-14-10-7-11-15-27)34(45)41-31(21-28-22-37-23-39-28)35(46)40-29(19-26-12-8-6-9-13-26)32(43)18-25(4)33(44)38-17-16-24(2)3/h7,10-11,14-15,22-24,26,29-32,43H,4-6,8-9,12-13,16-21H2,1-3H3,(H,37,39)(H,38,44)(H,40,46)(H,41,45)(H,42,47)/t29-,30?,31?,32-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014046
PNG
(CHEMBL289145 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)CN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H54N6O7/c1-23(2)20-42-21-30(48-35(42)47)31(43)27(16-24-12-8-6-9-13-24)39-33(45)29(18-26-19-37-22-38-26)40-32(44)28(17-25-14-10-7-11-15-25)41-34(46)49-36(3,4)5/h7,10-11,14-15,19,22-24,27-31,43H,6,8-9,12-13,16-18,20-21H2,1-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,46)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014061
PNG
(CHEMBL288411 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1
Show InChI InChI=1S/C33H48N6O7/c1-33(2,3)46-32(44)39-25(17-22-12-8-5-9-13-22)29(41)38-26(18-23-19-34-20-36-23)30(42)37-24(16-21-10-6-4-7-11-21)28(40)27-14-15-35-31(43)45-27/h5,8-9,12-13,19-21,24-28,40H,4,6-7,10-11,14-18H2,1-3H3,(H,34,36)(H,35,43)(H,37,42)(H,38,41)(H,39,44)/t24-,25-,26-,27-,28+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023116
PNG
((1-{1-[1-Cyclohexylmethyl-2-hydroxy-4-(3-methyl-bu...)
Show SMILES CC(C)CCNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H62N4O6/c1-25(2)19-20-39-34(44)27(5)22-33(43)30(23-28-15-11-9-12-16-28)40-35(45)31(21-26(3)4)41-36(46)32(24-29-17-13-10-14-18-29)42-37(47)48-38(6,7)8/h10,13-14,17-18,25-26,28,30-33,43H,5,9,11-12,15-16,19-24H2,1-4,6-8H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47)/t30-,31?,32?,33-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023109
PNG
(5-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-(1H...)
Show SMILES CC(C)CCNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C35H52N6O5/c1-23(2)15-16-37-33(44)24(3)17-32(43)29(18-26-11-7-5-8-12-26)40-35(46)31(20-28-21-36-22-38-28)41-34(45)30(39-25(4)42)19-27-13-9-6-10-14-27/h6,9-10,13-14,21-23,26,29-32,43H,3,5,7-8,11-12,15-20H2,1-2,4H3,(H,36,38)(H,37,44)(H,39,42)(H,40,46)(H,41,45)/t29-,30?,31?,32-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014058
PNG
(CHEMBL289146 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CNC(=O)O1
Show InChI InChI=1S/C32H46N6O7/c1-32(2,3)45-31(43)38-24(15-21-12-8-5-9-13-21)28(40)37-25(16-22-17-33-19-35-22)29(41)36-23(14-20-10-6-4-7-11-20)27(39)26-18-34-30(42)44-26/h5,8-9,12-13,17,19-20,23-27,39H,4,6-7,10-11,14-16,18H2,1-3H3,(H,33,35)(H,34,42)(H,36,41)(H,37,40)(H,38,43)/t23-,24-,25-,26-,27+/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023123
PNG
(CHEMBL3144516 | {1-[1-[1-Cyclohexylmethyl-4-(3-dim...)
Show SMILES CN(C)CC(C)(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C40H63N7O6/c1-27(35(49)42-24-40(5,6)25-47(7)8)19-34(48)31(20-28-15-11-9-12-16-28)44-37(51)33(22-30-23-41-26-43-30)45-36(50)32(21-29-17-13-10-14-18-29)46-38(52)53-39(2,3)4/h10,13-14,17-18,23,26,28,31-34,48H,1,9,11-12,15-16,19-22,24-25H2,2-8H3,(H,41,43)(H,42,49)(H,44,51)(H,45,50)(H,46,52)/t31-,32?,33?,34-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023118
PNG
(CHEMBL3144517 | {1-[1-(1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
Show InChI InChI=1S/C35H56N4O6/c1-7-45-35(44)39-30(21-27-16-12-9-13-17-27)34(43)38-29(18-23(2)3)33(42)37-28(20-26-14-10-8-11-15-26)31(40)19-25(6)32(41)36-22-24(4)5/h9,12-13,16-17,23-24,26,28-31,40H,6-8,10-11,14-15,18-22H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t28-,29?,30?,31-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50015997
PNG
((2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy...)
Show SMILES CCCCC(CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
Show InChI InChI=1S/C38H63N3O6/c1-8-9-20-30(24-34(43)32(23-29-18-14-11-15-19-29)41-37(46)47-38(5,6)7)36(45)40-31(22-28-16-12-10-13-17-28)33(42)21-27(4)35(44)39-25-26(2)3/h11,14-15,18-19,26,28,30-34,42-43H,4,8-10,12-13,16-17,20-25H2,1-3,5-7H3,(H,39,44)(H,40,45)(H,41,46)/t30?,31-,32-,33-,34?/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023114
PNG
(CHEMBL3144525 | {1-[1-[1-Cyclohexylmethyl-2,4-dihy...)
Show SMILES CC(C)CCNC(=O)[C@@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H60N6O7/c1-25(2)17-18-40-35(48)38(6,50)22-32(45)29(19-26-13-9-7-10-14-26)42-34(47)31(21-28-23-39-24-41-28)43-33(46)30(20-27-15-11-8-12-16-27)44-36(49)51-37(3,4)5/h8,11-12,15-16,23-26,29-32,45,50H,7,9-10,13-14,17-22H2,1-6H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)(H,44,49)/t29-,30?,31?,32-,38-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1978-83 (1987)


BindingDB Entry DOI: 10.7270/Q27943N5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50015991
PNG
((2S)-[{1-[1-(1-Cyclohexylmethyl-2-hydroxy-4-isobut...)
Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H60N4O6/c1-24(2)19-30(40-35(45)31(22-28-17-13-10-14-18-28)41-36(46)47-37(6,7)8)34(44)39-29(21-27-15-11-9-12-16-27)32(42)20-26(5)33(43)38-23-25(3)4/h10,13-14,17-18,24-25,27,29-32,42H,5,9,11-12,15-16,19-23H2,1-4,6-8H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t29-,30?,31-,32-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50015993
PNG
(CHEMBL123941 | [1-Benzyl-4-(1-cyclohexylmethyl-2-h...)
Show SMILES CC(C)C[C@H](CO)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H62N2O6/c1-24(2)18-28(22-32(40)30(20-26-14-10-8-11-15-26)38-35(43)44-36(5,6)7)34(42)37-31(21-27-16-12-9-13-17-27)33(41)29(23-39)19-25(3)4/h8,10-11,14-15,24-25,27-33,39-41H,9,12-13,16-23H2,1-7H3,(H,37,42)(H,38,43)/t28-,29-,30+,31+,32-,33+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014060
PNG
(CHEMBL288346 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1
Show InChI InChI=1S/C34H50N6O8/c1-34(2,3)48-32(45)39-26(17-23-12-8-5-9-13-23)30(43)38-27(18-24-19-35-21-36-24)31(44)37-25(16-22-10-6-4-7-11-22)29(42)28-20-40(14-15-41)33(46)47-28/h5,8-9,12-13,19,21-22,25-29,41-42H,4,6-7,10-11,14-18,20H2,1-3H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50406089
PNG
(CHEMBL2111809)
Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H63N3O6/c1-8-9-12-21-31(25-35(44)33(24-30-19-15-11-16-20-30)42-38(47)48-39(5,6)7)37(46)41-32(23-29-17-13-10-14-18-29)34(43)22-28(4)36(45)40-26-27(2)3/h8,11,15-16,19-20,27,29,31-35,43-44H,1,4,9-10,12-14,17-18,21-26H2,2-3,5-7H3,(H,40,45)(H,41,46)(H,42,47)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production


J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014050
PNG
(CHEMBL43958 | {1-[1-(1-Cyclohexylmethyl-4-formylam...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CNC=O
Show InChI InChI=1S/C32H48N6O7/c1-32(2,3)45-31(44)38-25(15-22-12-8-5-9-13-22)29(42)37-26(16-23-17-33-19-35-23)30(43)36-24(14-21-10-6-4-7-11-21)28(41)27(40)18-34-20-39/h5,8-9,12-13,17,19-21,24-28,40-41H,4,6-7,10-11,14-16,18H2,1-3H3,(H,33,35)(H,34,39)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-,27-,28+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human renal renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014053
PNG
(CHEMBL416429 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)N1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H52N6O7/c1-22(2)41-20-29(47-34(41)46)30(42)26(16-23-12-8-6-9-13-23)38-32(44)28(18-25-19-36-21-37-25)39-31(43)27(17-24-14-10-7-11-15-24)40-33(45)48-35(3,4)5/h7,10-11,14-15,19,21-23,26-30,42H,6,8-9,12-13,16-18,20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasma renin.


J Med Chem 33: 1582-90 (1990)


BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
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