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PubMed code 1588553

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (human))
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/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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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n/an/a 2.10n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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 8.30n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006124
PNG
(2-Ethyl-3-(morpholine-4-carbonyl)-cyclopropanecarb...)
Show SMILES CC[C@@H]1[C@H]([C@@H]1C(=O)N1CCOCC1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O6S/c1-4-22-26(27(22)31(40)35-10-12-41-13-11-35)30(39)34-24(16-21-17-42-18-32-21)29(38)33-23(15-20-8-6-5-7-9-20)28(37)25(36)14-19(2)3/h17-20,22-28,36-37H,4-16H2,1-3H3,(H,33,38)(H,34,39)/t22-,23+,24+,25+,26-,27-,28-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006134
PNG
(2-Benzyl-3-(morpholine-4-carbonyl)-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](Cc2ccccc2)[C@@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C36H52N4O6S/c1-23(2)17-30(41)33(42)28(19-25-11-7-4-8-12-25)38-34(43)29(20-26-21-47-22-37-26)39-35(44)31-27(18-24-9-5-3-6-10-24)32(31)36(45)40-13-15-46-16-14-40/h3,5-6,9-10,21-23,25,27-33,41-42H,4,7-8,11-20H2,1-2H3,(H,38,43)(H,39,44)/t27-,28-,29-,30-,31-,32-,33+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006119
PNG
(2-Ethyl-3-(morpholine-4-carbonyl)-cyclopropanecarb...)
Show SMILES CC[C@H]1[C@H]([C@@H]1C(=O)N1CCOCC1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O6S/c1-4-22-26(27(22)31(40)35-10-12-41-13-11-35)30(39)34-24(16-21-17-42-18-32-21)29(38)33-23(15-20-8-6-5-7-9-20)28(37)25(36)14-19(2)3/h17-20,22-28,36-37H,4-16H2,1-3H3,(H,33,38)(H,34,39)/t22-,23-,24-,25-,26+,27+,28+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006127
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+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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 20n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006135
PNG
(2-Benzyl-3-(morpholine-4-carbonyl)-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](Cc2ccccc2)[C@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C36H52N4O6S/c1-23(2)17-30(41)33(42)28(19-25-11-7-4-8-12-25)38-34(43)29(20-26-21-47-22-37-26)39-35(44)31-27(18-24-9-5-3-6-10-24)32(31)36(45)40-13-15-46-16-14-40/h3,5-6,9-10,21-23,25,27-33,41-42H,4,7-8,11-20H2,1-2H3,(H,38,43)(H,39,44)/t27-,28+,29+,30+,31-,32-,33-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006137
PNG
(2-Benzyl-3-(morpholine-4-carbonyl)-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](Cc2ccccc2)[C@@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C36H52N4O6S/c1-23(2)17-30(41)33(42)28(19-25-11-7-4-8-12-25)38-34(43)29(20-26-21-47-22-37-26)39-35(44)31-27(18-24-9-5-3-6-10-24)32(31)36(45)40-13-15-46-16-14-40/h3,5-6,9-10,21-23,25,27-33,41-42H,4,7-8,11-20H2,1-2H3,(H,38,43)(H,39,44)/t27-,28+,29+,30+,31+,32+,33-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006133
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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n/an/a 33n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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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n/an/a 41n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006139
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+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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 54n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006120
PNG
(2-Ethyl-3-(morpholine-4-carbonyl)-cyclopropanecarb...)
Show SMILES CC[C@@H]1[C@@H]([C@H]1C(=O)N1CCOCC1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O6S/c1-4-22-26(27(22)31(40)35-10-12-41-13-11-35)30(39)34-24(16-21-17-42-18-32-21)29(38)33-23(15-20-8-6-5-7-9-20)28(37)25(36)14-19(2)3/h17-20,22-28,36-37H,4-16H2,1-3H3,(H,33,38)(H,34,39)/t22-,23+,24+,25+,26+,27+,28-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006136
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 120n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006129
PNG
(2-Benzyl-3-(morpholine-4-carbonyl)-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](Cc2ccccc2)[C@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C36H52N4O6S/c1-23(2)17-30(41)33(42)28(19-25-11-7-4-8-12-25)38-34(43)29(20-26-21-47-22-37-26)39-35(44)31-27(18-24-9-5-3-6-10-24)32(31)36(45)40-13-15-46-16-14-40/h3,5-6,9-10,21-23,25,27-33,41-42H,4,7-8,11-20H2,1-2H3,(H,38,43)(H,39,44)/t27-,28-,29-,30-,31+,32+,33+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006121
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 120n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006130
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+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006126
PNG
(2-Ethyl-3-(morpholine-4-carbonyl)-cyclopropanecarb...)
Show SMILES CC[C@H]1[C@@H]([C@H]1C(=O)N1CCOCC1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O6S/c1-4-22-26(27(22)31(40)35-10-12-41-13-11-35)30(39)34-24(16-21-17-42-18-32-21)29(38)33-23(15-20-8-6-5-7-9-20)28(37)25(36)14-19(2)3/h17-20,22-28,36-37H,4-16H2,1-3H3,(H,33,38)(H,34,39)/t22-,23-,24-,25-,26-,27-,28+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006131
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 200n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006124
PNG
(2-Ethyl-3-(morpholine-4-carbonyl)-cyclopropanecarb...)
Show SMILES CC[C@@H]1[C@H]([C@@H]1C(=O)N1CCOCC1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O6S/c1-4-22-26(27(22)31(40)35-10-12-41-13-11-35)30(39)34-24(16-21-17-42-18-32-21)29(38)33-23(15-20-8-6-5-7-9-20)28(37)25(36)14-19(2)3/h17-20,22-28,36-37H,4-16H2,1-3H3,(H,33,38)(H,34,39)/t22-,23+,24+,25+,26-,27-,28-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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 300n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006134
PNG
(2-Benzyl-3-(morpholine-4-carbonyl)-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](Cc2ccccc2)[C@@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C36H52N4O6S/c1-23(2)17-30(41)33(42)28(19-25-11-7-4-8-12-25)38-34(43)29(20-26-21-47-22-37-26)39-35(44)31-27(18-24-9-5-3-6-10-24)32(31)36(45)40-13-15-46-16-14-40/h3,5-6,9-10,21-23,25,27-33,41-42H,4,7-8,11-20H2,1-2H3,(H,38,43)(H,39,44)/t27-,28-,29-,30-,31-,32-,33+/m0/s1
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n/an/a 370n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006119
PNG
(2-Ethyl-3-(morpholine-4-carbonyl)-cyclopropanecarb...)
Show SMILES CC[C@H]1[C@H]([C@@H]1C(=O)N1CCOCC1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O6S/c1-4-22-26(27(22)31(40)35-10-12-41-13-11-35)30(39)34-24(16-21-17-42-18-32-21)29(38)33-23(15-20-8-6-5-7-9-20)28(37)25(36)14-19(2)3/h17-20,22-28,36-37H,4-16H2,1-3H3,(H,33,38)(H,34,39)/t22-,23-,24-,25-,26+,27+,28+/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
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 810n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006127
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+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006135
PNG
(2-Benzyl-3-(morpholine-4-carbonyl)-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](Cc2ccccc2)[C@H]1C(=O)N1CCOCC1
Show InChI InChI=1S/C36H52N4O6S/c1-23(2)17-30(41)33(42)28(19-25-11-7-4-8-12-25)38-34(43)29(20-26-21-47-22-37-26)39-35(44)31-27(18-24-9-5-3-6-10-24)32(31)36(45)40-13-15-46-16-14-40/h3,5-6,9-10,21-23,25,27-33,41-42H,4,7-8,11-20H2,1-2H3,(H,38,43)(H,39,44)/t27-,28+,29+,30+,31-,32-,33-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%