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Compile Data Set for Download or QSAR

Found 326 hits with Last Name = 'maki' and Initial = 'rg'   
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))
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))
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))
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))
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))
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))
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 1.20n/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))
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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n/an/a 1.20n/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))
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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n/an/a 1.30n/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))
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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n/an/a 1.40n/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))
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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n/an/a 1.40n/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))
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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n/an/a 1.40n/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))
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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n/an/a 1.5n/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))
BDBM50022353
PNG
(CHEMBL3142231 | {1-[1-[1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CC(C)S(=O)(=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/C33H51N5O7S/c1-22(2)46(43,44)20-29(39)26(16-23-12-8-6-9-13-23)36-31(41)28(18-25-19-34-21-35-25)37-30(40)27(17-24-14-10-7-11-15-24)38-32(42)45-33(3,4)5/h7,10-11,14-15,19,21-23,26-29,39H,6,8-9,12-13,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27?,28?,29-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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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n/an/a 2.30n/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))
BDBM50022370
PNG
(CHEMBL3142232 | {1-[1-(3-Cyclohexanesulfonyl-1-cyc...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C36H55N5O7S/c1-36(2,3)48-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-49(46,47)28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30?,31?,32-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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))
BDBM50226408
PNG
(CHEMBL3142220)
Show SMILES CC(C)S(=O)(=O)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 |r|
Show InChI InChI=1S/C34H53N5O6S/c1-23(2)46(44,45)21-30(40)27(16-24-12-8-6-9-13-24)38-33(43)29(18-26-20-35-22-36-26)39-32(42)28(17-25-14-10-7-11-15-25)37-31(41)19-34(3,4)5/h7,10-11,14-15,20,22-24,27-30,40H,6,8-9,12-13,16-19,21H2,1-5H3,(H,35,36)(H,37,41)(H,38,43)(H,39,42)/t27-,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
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022379
PNG
(CHEMBL3142221 | [1-[1-[1-Cyclohexylmethyl-2-hydrox...)
Show SMILES COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CS(=O)(=O)C(C)C)cc1
Show InChI InChI=1S/C34H53N5O8S/c1-22(2)48(44,45)20-30(40)27(16-23-10-8-7-9-11-23)37-32(42)29(18-25-19-35-21-36-25)38-31(41)28(39-33(43)47-34(3,4)5)17-24-12-14-26(46-6)15-13-24/h12-15,19,21-23,27-30,40H,7-11,16-18,20H2,1-6H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,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
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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))
BDBM50022350
PNG
(CHEMBL3143950 | N-{1-[1-[1-Cyclohexylmethyl-2-hydr...)
Show SMILES Cl.CC(C)S(=O)(=O)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 |r|
Show InChI InChI=1S/C34H53N5O6S/c1-23(2)46(44,45)21-30(40)27(16-24-12-8-6-9-13-24)38-33(43)29(18-26-20-35-22-36-26)39-32(42)28(17-25-14-10-7-11-15-25)37-31(41)19-34(3,4)5/h7,10-11,14-15,20,22-24,27-30,40H,6,8-9,12-13,16-19,21H2,1-5H3,(H,35,36)(H,37,41)(H,38,43)(H,39,42)/t27-,28?,29?,30-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50022376
PNG
((1-{1-[1-Cyclohexylmethyl-2-hydroxy-3-(propane-2-s...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C33H55N3O7S/c1-22(2)18-27(35-31(39)28(20-25-16-12-9-13-17-25)36-32(40)43-33(5,6)7)30(38)34-26(19-24-14-10-8-11-15-24)29(37)21-44(41,42)23(3)4/h9,12-13,16-17,22-24,26-29,37H,8,10-11,14-15,18-21H2,1-7H3,(H,34,38)(H,35,39)(H,36,40)/t26-,27?,28?,29-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022372
PNG
(CHEMBL357302 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)SC[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/C33H51N5O5S/c1-22(2)44-20-29(39)26(16-23-12-8-6-9-13-23)36-31(41)28(18-25-19-34-21-35-25)37-30(40)27(17-24-14-10-7-11-15-24)38-32(42)43-33(3,4)5/h7,10-11,14-15,19,21-23,26-29,39H,6,8-9,12-13,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27?,28?,29-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022356
PNG
(CHEMBL309127 | {1-[1-(1-Cyclohexylmethyl-3-cyclohe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C36H55N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30?,31?,32-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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))
BDBM50022381
PNG
(CHEMBL3142207 | {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)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C31H47N5O7S/c1-4-43-31(40)36-26(16-23-13-9-6-10-14-23)29(38)35-27(17-24-18-32-20-33-24)30(39)34-25(15-22-11-7-5-8-12-22)28(37)19-44(41,42)21(2)3/h6,9-10,13-14,18,20-22,25-28,37H,4-5,7-8,11-12,15-17,19H2,1-3H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t25-,26?,27?,28-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022364
PNG
(CHEMBL3142204 | {2-Benzyloxy-1-[1-[1-cyclohexylmet...)
Show SMILES CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1
Show InChI InChI=1S/C35H55N5O8S/c1-23(2)49(45,46)21-30(41)28(17-25-13-9-7-10-14-25)38-32(42)29(18-27-19-36-22-37-27)39-33(43)31(40-34(44)48-35(4,5)6)24(3)47-20-26-15-11-8-12-16-26/h8,11-12,15-16,19,22-25,28-31,41H,7,9-10,13-14,17-18,20-21H2,1-6H3,(H,36,37)(H,38,42)(H,39,43)(H,40,44)/t24?,28-,29?,30-,31?/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022373
PNG
((1-{2-Benzyloxy-1-[1-cyclohexylmethyl-2-hydroxy-3-...)
Show SMILES CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1
Show InChI InChI=1S/C38H57N3O8S/c1-26(2)50(46,47)25-33(42)31(22-28-16-10-7-11-17-28)39-36(44)34(27(3)48-24-30-20-14-9-15-21-30)41-35(43)32(23-29-18-12-8-13-19-29)40-37(45)49-38(4,5)6/h8-9,12-15,18-21,26-28,31-34,42H,7,10-11,16-17,22-25H2,1-6H3,(H,39,44)(H,40,45)(H,41,43)/t27?,31-,32?,33-,34?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022382
PNG
(CHEMBL3142219 | {1-[1-(1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CC(C)CSC[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/C34H53N5O5S/c1-23(2)20-45-21-30(40)27(16-24-12-8-6-9-13-24)37-32(42)29(18-26-19-35-22-36-26)38-31(41)28(17-25-14-10-7-11-15-25)39-33(43)44-34(3,4)5/h7,10-11,14-15,19,22-24,27-30,40H,6,8-9,12-13,16-18,20-21H2,1-5H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28?,29?,30-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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))
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))
BDBM50022368
PNG
((1-{1-[1-Cyclohexylmethyl-2-hydroxy-3-(propane-2-s...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C31H51N3O8S/c1-20(2)43(40,41)19-26(36)24(17-22-13-9-7-10-14-22)32-29(38)27(21(3)35)34-28(37)25(18-23-15-11-8-12-16-23)33-30(39)42-31(4,5)6/h8,11-12,15-16,20-22,24-27,35-36H,7,9-10,13-14,17-19H2,1-6H3,(H,32,38)(H,33,39)(H,34,37)/t21?,24-,25?,26-,27?/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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
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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n/an/a 8.80n/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))
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 9n/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))
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 9.20n/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
Renin


(Homo sapiens (Human))
BDBM50022375
PNG
(BDBM50022873 | CHEMBL348469 | {1-[1-(1-Cyclohexylm...)
Show SMILES CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H49N3O5S/c1-20(2)39-19-26(34)24(17-22-13-9-7-10-14-22)32-27(35)21(3)31-28(36)25(18-23-15-11-8-12-16-23)33-29(37)38-30(4,5)6/h8,11-12,15-16,20-22,24-26,34H,7,9-10,13-14,17-19H2,1-6H3,(H,31,36)(H,32,35)(H,33,37)/t21?,24-,25?,26-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022358
PNG
(CHEMBL3142234 | {1-[1-(1-Cyclohexylmethyl-2-hydrox...)
Show SMILES CSC[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/C31H47N5O5S/c1-31(2,3)41-30(40)36-25(16-22-13-9-6-10-14-22)28(38)35-26(17-23-18-32-20-33-23)29(39)34-24(27(37)19-42-4)15-21-11-7-5-8-12-21/h6,9-10,13-14,18,20-21,24-27,37H,5,7-8,11-12,15-17,19H2,1-4H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25?,26?,27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022359
PNG
(3-Benzyloxy-N-[1-[1-cyclohexylmethyl-2-hydroxy-3-(...)
Show SMILES CC(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C34H53N5O7S/c1-22(2)32(41)39-31(24(5)46-19-26-14-10-7-11-15-26)34(43)38-29(17-27-18-35-21-36-27)33(42)37-28(16-25-12-8-6-9-13-25)30(40)20-47(44,45)23(3)4/h7,10-11,14-15,18,21-25,28-31,40H,6,8-9,12-13,16-17,19-20H2,1-5H3,(H,35,36)(H,37,42)(H,38,43)(H,39,41)/t24?,28-,29?,30-,31?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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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n/an/a 11n/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))
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 12n/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))
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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n/an/a 13n/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))
BDBM50022383
PNG
(CHEMBL3142208 | {1-[1-(1-Benzyl-3-cyclohexylsulfan...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C36H49N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h4-5,7-10,13-16,22,24,28-32,42H,6,11-12,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30?,31?,32-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


BindingDB Entry DOI: 10.7270/Q2RJ4K2D
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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n/an/a 17n/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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