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PubMed code 1588554

Compile data set for download or QSAR
Found 66 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))
BDBM50006147
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O7/c1-5-30(33(39)35-28(21-25-12-8-6-9-13-25)32(38)29(37)20-24(2)3)43-31(22-26-14-10-7-11-15-26)34(40)36-18-16-27(17-19-36)42-23-41-4/h7,10-11,14-15,24-25,27-32,37-38H,5-6,8-9,12-13,16-23H2,1-4H3,(H,35,39)/t28-,29-,30-,31-,32+/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 potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006157
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(C)C
Show InChI InChI=1S/C41H70N4O6/c1-6-8-20-35(43-37(27-32-18-14-11-15-19-32)41(49)45-24-21-33(22-25-45)51-29-50-5)40(48)44-36(26-31-16-12-10-13-17-31)38(46)28-34(30(3)4)39(47)42-23-9-7-2/h11,14-15,18-19,30-31,33-38,43,46H,6-10,12-13,16-17,20-29H2,1-5H3,(H,42,47)(H,44,48)/t34-,35-,36-,37-,38-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50006152
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006161
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006148
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(C)C
Show InChI InChI=1S/C41H69N3O7/c1-6-8-20-37(51-38(27-32-18-14-11-15-19-32)41(48)44-24-21-33(22-25-44)50-29-49-5)40(47)43-35(26-31-16-12-10-13-17-31)36(45)28-34(30(3)4)39(46)42-23-9-7-2/h11,14-15,18-19,30-31,33-38,45H,6-10,12-13,16-17,20-29H2,1-5H3,(H,42,46)(H,43,47)/t34-,35-,36-,37-,38-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006150
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES COCOC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O7/c1-23(2)19-29(36)31(37)28(20-25-11-7-5-8-12-25)34-32(38)24(3)42-30(21-26-13-9-6-10-14-26)33(39)35-17-15-27(16-18-35)41-22-40-4/h6,9-10,13-14,23-25,27-31,36-37H,5,7-8,11-12,15-22H2,1-4H3,(H,34,38)/t24-,28-,29-,30-,31+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006141
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H58N2O7/c1-5-12-31(34(40)36-29(22-26-13-8-6-9-14-26)33(39)30(38)21-25(2)3)44-32(23-27-15-10-7-11-16-27)35(41)37-19-17-28(18-20-37)43-24-42-4/h7,10-11,15-16,25-26,28-33,38-39H,5-6,8-9,12-14,17-24H2,1-4H3,(H,36,40)/t29-,30-,31-,32-,33+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006174
PNG
(2-[1-Benzyl-2-(4-methoxymethylsulfanyl-piperidin-1...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)SCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O6S/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)44-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)45-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006161
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006152
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 6.0


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


(Homo sapiens (human))
BDBM50006152
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006141
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H58N2O7/c1-5-12-31(34(40)36-29(22-26-13-8-6-9-14-26)33(39)30(38)21-25(2)3)44-32(23-27-15-10-7-11-16-27)35(41)37-19-17-28(18-20-37)43-24-42-4/h7,10-11,15-16,25-26,28-33,38-39H,5-6,8-9,12-14,17-24H2,1-4H3,(H,36,40)/t29-,30-,31-,32-,33+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 6.0


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


(Homo sapiens (human))
BDBM50006161
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 6.0


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


(Homo sapiens (human))
BDBM50006147
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O7/c1-5-30(33(39)35-28(21-25-12-8-6-9-13-25)32(38)29(37)20-24(2)3)43-31(22-26-14-10-7-11-15-26)34(40)36-18-16-27(17-19-36)42-23-41-4/h7,10-11,14-15,24-25,27-32,37-38H,5-6,8-9,12-13,16-23H2,1-4H3,(H,35,39)/t28-,29-,30-,31-,32+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006168
PNG
(2-(2-Azetidin-1-yl-1-benzyl-2-oxo-ethoxy)-N-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCC1
Show InChI InChI=1S/C29H46N2O5/c1-20(2)17-25(32)27(33)24(18-22-11-6-4-7-12-22)30-28(34)21(3)36-26(29(35)31-15-10-16-31)19-23-13-8-5-9-14-23/h5,8-9,13-14,20-22,24-27,32-33H,4,6-7,10-12,15-19H2,1-3H3,(H,30,34)/t21-,24-,25-,26-,27+/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 potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006141
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H58N2O7/c1-5-12-31(34(40)36-29(22-26-13-8-6-9-14-26)33(39)30(38)21-25(2)3)44-32(23-27-15-10-7-11-16-27)35(41)37-19-17-28(18-20-37)43-24-42-4/h7,10-11,15-16,25-26,28-33,38-39H,5-6,8-9,12-14,17-24H2,1-4H3,(H,36,40)/t29-,30-,31-,32-,33+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006150
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES COCOC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O7/c1-23(2)19-29(36)31(37)28(20-25-11-7-5-8-12-25)34-32(38)24(3)42-30(21-26-13-9-6-10-14-26)33(39)35-17-15-27(16-18-35)41-22-40-4/h6,9-10,13-14,23-25,27-31,36-37H,5,7-8,11-12,15-22H2,1-4H3,(H,34,38)/t24-,28-,29-,30-,31+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006147
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O7/c1-5-30(33(39)35-28(21-25-12-8-6-9-13-25)32(38)29(37)20-24(2)3)43-31(22-26-14-10-7-11-15-26)34(40)36-18-16-27(17-19-36)42-23-41-4/h7,10-11,14-15,24-25,27-32,37-38H,5-6,8-9,12-13,16-23H2,1-4H3,(H,35,39)/t28-,29-,30-,31-,32+/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 6.0


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


(Homo sapiens (human))
BDBM50006148
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(C)C
Show InChI InChI=1S/C41H69N3O7/c1-6-8-20-37(51-38(27-32-18-14-11-15-19-32)41(48)44-24-21-33(22-25-44)50-29-49-5)40(47)43-35(26-31-16-12-10-13-17-31)36(45)28-34(30(3)4)39(46)42-23-9-7-2/h11,14-15,18-19,30-31,33-38,45H,6-10,12-13,16-17,20-29H2,1-5H3,(H,42,46)(H,43,47)/t34-,35-,36-,37-,38-/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 potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006157
PNG
(5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(C)C
Show InChI InChI=1S/C41H70N4O6/c1-6-8-20-35(43-37(27-32-18-14-11-15-19-32)41(49)45-24-21-33(22-25-45)51-29-50-5)40(48)44-36(26-31-16-12-10-13-17-31)38(46)28-34(30(3)4)39(47)42-23-9-7-2/h11,14-15,18-19,30-31,33-38,43,46H,6-10,12-13,16-17,20-29H2,1-5H3,(H,42,47)(H,44,48)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50006162
PNG
(2-(1-Benzyl-2-oxo-2-pyrrolidin-1-yl-ethoxy)-N-(1-c...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C30H48N2O5/c1-21(2)18-26(33)28(34)25(19-23-12-6-4-7-13-23)31-29(35)22(3)37-27(20-24-14-8-5-9-15-24)30(36)32-16-10-11-17-32/h5,8-9,14-15,21-23,25-28,33-34H,4,6-7,10-13,16-20H2,1-3H3,(H,31,35)/t22-,25-,26-,27-,28+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006152
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006142
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-hex...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H55N3O5/c1-4-5-16-27(34-29(23-26-14-10-7-11-15-26)33(40)36-17-19-41-20-18-36)32(39)35-28(22-25-12-8-6-9-13-25)31(38)30(37)21-24(2)3/h7,10-11,14-15,24-25,27-31,34,37-38H,4-6,8-9,12-13,16-23H2,1-3H3,(H,35,39)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006159
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethoxy)-hexanoi...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O6/c1-4-5-16-29(41-30(23-26-14-10-7-11-15-26)33(39)35-17-19-40-20-18-35)32(38)34-27(22-25-12-8-6-9-13-25)31(37)28(36)21-24(2)3/h7,10-11,14-15,24-25,27-31,36-37H,4-6,8-9,12-13,16-23H2,1-3H3,(H,34,38)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006161
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006153
PNG
(2-{1-Benzyl-2-[4-(2-methoxy-ethyl)-piperidin-1-yl]...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H62N2O6/c1-5-6-17-33(36(42)38-31(25-29-13-9-7-10-14-29)35(41)32(40)24-27(2)3)45-34(26-30-15-11-8-12-16-30)37(43)39-21-18-28(19-22-39)20-23-44-4/h8,11-12,15-16,27-29,31-35,40-41H,5-7,9-10,13-14,17-26H2,1-4H3,(H,38,42)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006172
PNG
(2-(1-Benzyl-2-oxo-2-piperidin-1-yl-ethoxy)-hexanoi...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O5/c1-4-5-19-30(41-31(24-27-17-11-7-12-18-27)34(40)36-20-13-8-14-21-36)33(39)35-28(23-26-15-9-6-10-16-26)32(38)29(37)22-25(2)3/h7,11-12,17-18,25-26,28-32,37-38H,4-6,8-10,13-16,19-24H2,1-3H3,(H,35,39)/t28-,29-,30-,31-,32+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006143
PNG
(2-(1-Benzyl-2-oxo-2-piperidin-1-yl-ethoxy)-N-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C31H50N2O5/c1-22(2)19-27(34)29(35)26(20-24-13-7-4-8-14-24)32-30(36)23(3)38-28(21-25-15-9-5-10-16-25)31(37)33-17-11-6-12-18-33/h5,9-10,15-16,22-24,26-29,34-35H,4,6-8,11-14,17-21H2,1-3H3,(H,32,36)/t23-,26-,27-,28-,29+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006150
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES COCOC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O7/c1-23(2)19-29(36)31(37)28(20-25-11-7-5-8-12-25)34-32(38)24(3)42-30(21-26-13-9-6-10-14-26)33(39)35-17-15-27(16-18-35)41-22-40-4/h6,9-10,13-14,23-25,27-31,36-37H,5,7-8,11-12,15-22H2,1-4H3,(H,34,38)/t24-,28-,29-,30-,31+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 6.0


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


(Homo sapiens (human))
BDBM50006141
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H58N2O7/c1-5-12-31(34(40)36-29(22-26-13-8-6-9-14-26)33(39)30(38)21-25(2)3)44-32(23-27-15-10-7-11-16-27)35(41)37-19-17-28(18-20-37)43-24-42-4/h7,10-11,15-16,25-26,28-33,38-39H,5-6,8-9,12-14,17-24H2,1-4H3,(H,36,40)/t29-,30-,31-,32-,33+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006166
PNG
(2-{1-Benzyl-2-[4-(2-methoxy-ethoxy)-piperidin-1-yl...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H63N3O6/c1-5-6-17-31(36(43)39-32(25-28-13-9-7-10-14-28)35(42)34(41)24-27(2)3)38-33(26-29-15-11-8-12-16-29)37(44)40-20-18-30(19-21-40)46-23-22-45-4/h8,11-12,15-16,27-28,30-35,38,41-42H,5-7,9-10,13-14,17-26H2,1-4H3,(H,39,43)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006171
PNG
(2-[1-Benzyl-2-(4-methoxy-piperidin-1-yl)-2-oxo-eth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H58N2O6/c1-5-6-17-31(34(40)36-29(23-26-13-9-7-10-14-26)33(39)30(38)22-25(2)3)43-32(24-27-15-11-8-12-16-27)35(41)37-20-18-28(42-4)19-21-37/h8,11-12,15-16,25-26,28-33,38-39H,5-7,9-10,13-14,17-24H2,1-4H3,(H,36,40)/t29-,30-,31-,32-,33+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006156
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethoxy)-N-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H48N2O6/c1-21(2)18-26(33)28(34)25(19-23-10-6-4-7-11-23)31-29(35)22(3)38-27(20-24-12-8-5-9-13-24)30(36)32-14-16-37-17-15-32/h5,8-9,12-13,21-23,25-28,33-34H,4,6-7,10-11,14-20H2,1-3H3,(H,31,35)/t22-,25-,26-,27-,28+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006160
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-N-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H49N3O5/c1-21(2)18-27(34)28(35)25(19-23-10-6-4-7-11-23)32-29(36)22(3)31-26(20-24-12-8-5-9-13-24)30(37)33-14-16-38-17-15-33/h5,8-9,12-13,21-23,25-28,31,34-35H,4,6-7,10-11,14-20H2,1-3H3,(H,32,36)/t22?,25-,26-,27-,28+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006174
PNG
(2-[1-Benzyl-2-(4-methoxymethylsulfanyl-piperidin-1...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)SCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O6S/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)44-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)45-25-43-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006147
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES CC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O7/c1-5-30(33(39)35-28(21-25-12-8-6-9-13-25)32(38)29(37)20-24(2)3)43-31(22-26-14-10-7-11-15-26)34(40)36-18-16-27(17-19-36)42-23-41-4/h7,10-11,14-15,24-25,27-32,37-38H,5-6,8-9,12-13,16-23H2,1-4H3,(H,35,39)/t28-,29-,30-,31-,32+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006163
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C29H48N2O5/c1-5-36-29(35)24(17-16-22-12-8-6-9-13-22)30-21(4)28(34)31-25(19-23-14-10-7-11-15-23)27(33)26(32)18-20(2)3/h6,8-9,12-13,20-21,23-27,30,32-33H,5,7,10-11,14-19H2,1-4H3,(H,31,34)/t21-,24?,25-,26-,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006163
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C29H48N2O5/c1-5-36-29(35)24(17-16-22-12-8-6-9-13-22)30-21(4)28(34)31-25(19-23-14-10-7-11-15-23)27(33)26(32)18-20(2)3/h6,8-9,12-13,20-21,23-27,30,32-33H,5,7,10-11,14-19H2,1-4H3,(H,31,34)/t21-,24?,25-,26-,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006165
PNG
(2-[1-Benzyl-2-(4-hydroxy-piperidin-1-yl)-2-oxo-eth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N2O6/c1-4-5-16-30(33(40)35-28(22-25-12-8-6-9-13-25)32(39)29(38)21-24(2)3)42-31(23-26-14-10-7-11-15-26)34(41)36-19-17-27(37)18-20-36/h7,10-11,14-15,24-25,27-32,37-39H,4-6,8-9,12-13,16-23H2,1-3H3,(H,35,40)/t28-,29-,30-,31-,32+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006164
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCNC(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C28H46N2O5/c1-5-29-28(34)25(18-22-14-10-7-11-15-22)35-20(4)27(33)30-23(17-21-12-8-6-9-13-21)26(32)24(31)16-19(2)3/h7,10-11,14-15,19-21,23-26,31-32H,5-6,8-9,12-13,16-18H2,1-4H3,(H,29,34)(H,30,33)/t20-,23-,24-,25-,26+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006167
PNG
(2-[1-Benzyl-2-(4-methylsulfanylmethoxy-piperidin-1...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCSC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O6S/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)44-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)43-25-45-4/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006146
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCOC(=O)C(CCc1ccccc1)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/C32H54N2O5/c1-6-39-32(38)26(18-17-24-13-9-7-10-14-24)33-28(19-22(2)3)31(37)34-27(21-25-15-11-8-12-16-25)30(36)29(35)20-23(4)5/h7,9-10,13-14,22-23,25-30,33,35-36H,6,8,11-12,15-21H2,1-5H3,(H,34,37)/t26?,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006140
PNG
(2-[2-(4-Allyloxy-piperidin-1-yl)-1-benzyl-2-oxo-et...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCC=C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H60N2O6/c1-5-7-18-33(36(42)38-31(25-28-14-10-8-11-15-28)35(41)32(40)24-27(3)4)45-34(26-29-16-12-9-13-17-29)37(43)39-21-19-30(20-22-39)44-23-6-2/h6,9,12-13,16-17,27-28,30-35,40-41H,2,5,7-8,10-11,14-15,18-26H2,1,3-4H3,(H,38,42)/t31-,32-,33-,34-,35+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006146
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCOC(=O)C(CCc1ccccc1)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/C32H54N2O5/c1-6-39-32(38)26(18-17-24-13-9-7-10-14-24)33-28(19-22(2)3)31(37)34-27(21-25-15-11-8-12-16-25)30(36)29(35)20-23(4)5/h7,9-10,13-14,22-23,25-30,33,35-36H,6,8,11-12,15-21H2,1-5H3,(H,34,37)/t26?,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006149
PNG
(2-[1-Benzyl-2-oxo-2-(4-propoxy-piperidin-1-yl)-eth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H62N2O6/c1-5-7-18-33(36(42)38-31(25-28-14-10-8-11-15-28)35(41)32(40)24-27(3)4)45-34(26-29-16-12-9-13-17-29)37(43)39-21-19-30(20-22-39)44-23-6-2/h9,12-13,16-17,27-28,30-35,40-41H,5-8,10-11,14-15,18-26H2,1-4H3,(H,38,42)/t31-,32-,33-,34-,35+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006144
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H56N2O5/c1-22(2)18-27(34-28(32(39)40-33(5,6)7)21-25-16-12-9-13-17-25)31(38)35-26(20-24-14-10-8-11-15-24)30(37)29(36)19-23(3)4/h9,12-13,16-17,22-24,26-30,34,36-37H,8,10-11,14-15,18-21H2,1-7H3,(H,35,38)/t26-,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006150
PNG
(2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-...)
Show SMILES COCOC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O7/c1-23(2)19-29(36)31(37)28(20-25-11-7-5-8-12-25)34-32(38)24(3)42-30(21-26-13-9-6-10-14-26)33(39)35-17-15-27(16-18-35)41-22-40-4/h6,9-10,13-14,23-25,27-31,36-37H,5,7-8,11-12,15-22H2,1-4H3,(H,34,38)/t24-,28-,29-,30-,31+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006155
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-hex...)
Show SMILES CCCC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H55N3O5/c1-4-5-16-27(34-29(23-26-14-10-7-11-15-26)33(40)36-17-19-41-20-18-36)32(39)35-28(22-25-12-8-6-9-13-25)31(38)30(37)21-24(2)3/h7,10-11,14-15,24-25,27-31,34,37-38H,4-6,8-9,12-13,16-23H2,1-3H3,(H,35,39)/t27-,28+,29+,30+,31-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006154
PNG
(2-[1-Benzyl-2-(4-methanesulfinylmethoxy-piperidin-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCS(C)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O7S/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)45-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)44-25-46(4)43/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+,46?/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006151
PNG
(2-[1-Benzyl-2-(4-methanesulfonylmethoxy-piperidin-...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCS(C)(=O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N2O8S/c1-5-6-17-32(35(41)37-30(23-27-13-9-7-10-14-27)34(40)31(39)22-26(2)3)46-33(24-28-15-11-8-12-16-28)36(42)38-20-18-29(19-21-38)45-25-47(4,43)44/h8,11-12,15-16,26-27,29-34,39-40H,5-7,9-10,13-14,17-25H2,1-4H3,(H,37,41)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006173
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H50N2O5/c1-6-32(7-2)30(36)27(20-24-16-12-9-13-17-24)37-22(5)29(35)31-25(19-23-14-10-8-11-15-23)28(34)26(33)18-21(3)4/h9,12-13,16-17,21-23,25-28,33-34H,6-8,10-11,14-15,18-20H2,1-5H3,(H,31,35)/t22-,25-,26-,27-,28+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006145
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-N-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H49N3O5/c1-21(2)18-27(34)28(35)25(19-23-10-6-4-7-11-23)32-29(36)22(3)31-26(20-24-12-8-5-9-13-24)30(37)33-14-16-38-17-15-33/h5,8-9,12-13,21-23,25-28,31,34-35H,4,6-7,10-11,14-20H2,1-3H3,(H,32,36)/t22?,25-,26+,27-,28+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006168
PNG
(2-(2-Azetidin-1-yl-1-benzyl-2-oxo-ethoxy)-N-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCC1
Show InChI InChI=1S/C29H46N2O5/c1-20(2)17-25(32)27(33)24(18-22-11-6-4-7-12-22)30-28(34)21(3)36-26(29(35)31-15-10-16-31)19-23-13-8-5-9-14-23/h5,8-9,13-14,20-22,24-27,32-33H,4,6-7,10-12,15-19H2,1-3H3,(H,30,34)/t21-,24-,25-,26-,27+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006158
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H58N2O5/c1-23(2)20-29(35-27(33(40)41-34(5,6)7)19-18-25-14-10-8-11-15-25)32(39)36-28(22-26-16-12-9-13-17-26)31(38)30(37)21-24(3)4/h8,10-11,14-15,23-24,26-31,35,37-38H,9,12-13,16-22H2,1-7H3,(H,36,39)/t27-,28-,29?,30-,31+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006160
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-N-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H49N3O5/c1-21(2)18-27(34)28(35)25(19-23-10-6-4-7-11-23)32-29(36)22(3)31-26(20-24-12-8-5-9-13-24)30(37)33-14-16-38-17-15-33/h5,8-9,12-13,21-23,25-28,31,34-35H,4,6-7,10-11,14-20H2,1-3H3,(H,32,36)/t22?,25-,26-,27-,28+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006159
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethoxy)-hexanoi...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H54N2O6/c1-4-5-16-29(41-30(23-26-14-10-7-11-15-26)33(39)35-17-19-40-20-18-35)32(38)34-27(22-25-12-8-6-9-13-25)31(37)28(36)21-24(2)3/h7,10-11,14-15,24-25,27-31,36-37H,4-6,8-9,12-13,16-23H2,1-3H3,(H,34,38)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006169
PNG
(2-[1-Benzyl-2-(4-butyl-piperidin-1-yl)-2-oxo-ethox...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CCCC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C38H64N2O5/c1-5-7-15-29-21-23-40(24-22-29)38(44)35(27-31-18-13-10-14-19-31)45-34(20-8-6-2)37(43)39-32(26-30-16-11-9-12-17-30)36(42)33(41)25-28(3)4/h10,13-14,18-19,28-30,32-36,41-42H,5-9,11-12,15-17,20-27H2,1-4H3,(H,39,43)/t32-,33-,34-,35-,36+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006142
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-hex...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H55N3O5/c1-4-5-16-27(34-29(23-26-14-10-7-11-15-26)33(40)36-17-19-41-20-18-36)32(39)35-28(22-25-12-8-6-9-13-25)31(38)30(37)21-24(2)3/h7,10-11,14-15,24-25,27-31,34,37-38H,4-6,8-9,12-13,16-23H2,1-3H3,(H,35,39)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006153
PNG
(2-{1-Benzyl-2-[4-(2-methoxy-ethyl)-piperidin-1-yl]...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H62N2O6/c1-5-6-17-33(36(42)38-31(25-29-13-9-7-10-14-29)35(41)32(40)24-27(2)3)45-34(26-30-15-11-8-12-16-30)37(43)39-21-18-28(19-22-39)20-23-44-4/h8,11-12,15-16,27-29,31-35,40-41H,5-7,9-10,13-14,17-26H2,1-4H3,(H,38,42)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006145
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-N-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H49N3O5/c1-21(2)18-27(34)28(35)25(19-23-10-6-4-7-11-23)32-29(36)22(3)31-26(20-24-12-8-5-9-13-24)30(37)33-14-16-38-17-15-33/h5,8-9,12-13,21-23,25-28,31,34-35H,4,6-7,10-11,14-20H2,1-3H3,(H,32,36)/t22?,25-,26+,27-,28+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006166
PNG
(2-{1-Benzyl-2-[4-(2-methoxy-ethoxy)-piperidin-1-yl...)
Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H63N3O6/c1-5-6-17-31(36(43)39-32(25-28-13-9-7-10-14-28)35(42)34(41)24-27(2)3)38-33(26-29-15-11-8-12-16-29)37(44)40-20-18-30(19-21-40)46-23-22-45-4/h8,11-12,15-16,27-28,30-35,38,41-42H,5-7,9-10,13-14,17-26H2,1-4H3,(H,39,43)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006170
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H56N2O5/c1-22(2)18-27(34-28(32(39)40-33(5,6)7)21-25-16-12-9-13-17-25)31(38)35-26(20-24-14-10-8-11-15-24)30(37)29(36)19-23(3)4/h9,12-13,16-17,22-24,26-30,34,36-37H,8,10-11,14-15,18-21H2,1-7H3,(H,35,38)/t26-,27+,28-,29-,30+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006162
PNG
(2-(1-Benzyl-2-oxo-2-pyrrolidin-1-yl-ethoxy)-N-(1-c...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C30H48N2O5/c1-21(2)18-26(33)28(34)25(19-23-12-6-4-7-13-23)31-29(35)22(3)37-27(20-24-14-8-5-9-15-24)30(36)32-16-10-11-17-32/h5,8-9,14-15,21-23,25-28,33-34H,4,6-7,10-13,16-20H2,1-3H3,(H,31,35)/t22-,25-,26-,27-,28+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006158
PNG
(2-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H58N2O5/c1-23(2)20-29(35-27(33(40)41-34(5,6)7)19-18-25-14-10-8-11-15-25)32(39)36-28(22-26-16-12-9-13-17-26)31(38)30(37)21-24(3)4/h8,10-11,14-15,23-24,26-31,35,37-38H,9,12-13,16-22H2,1-7H3,(H,36,39)/t27-,28-,29?,30-,31+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.


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


(Homo sapiens (human))
BDBM50006156
PNG
(2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethoxy)-N-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H48N2O6/c1-21(2)18-26(33)28(34)25(19-23-10-6-4-7-11-23)31-29(35)22(3)38-27(20-24-12-8-5-9-13-24)30(36)32-14-16-37-17-15-32/h5,8-9,12-13,21-23,25-28,33-34H,4,6-7,10-11,14-20H2,1-3H3,(H,31,35)/t22-,25-,26-,27-,28+/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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


(Homo sapiens (human))
BDBM50006143
PNG
(2-(1-Benzyl-2-oxo-2-piperidin-1-yl-ethoxy)-N-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C31H50N2O5/c1-22(2)19-27(34)29(35)26(20-24-13-7-4-8-14-24)32-30(36)23(3)38-28(21-25-15-9-5-10-16-25)31(37)33-17-11-6-12-18-33/h5,9-10,15-16,22-24,26-29,34-35H,4,6-8,11-14,17-21H2,1-3H3,(H,32,36)/t23-,26-,27-,28-,29+/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against plasma renin at a pH of 7.4


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