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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'merits' and Initial = 'i'   
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))
BDBM50022633
PNG
(CHEMBL3142281 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccc(OC)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/C33H55N3O7/c1-7-43-33(41)36-28(20-24-13-15-25(42-6)16-14-24)32(40)35-27(17-21(2)3)31(39)34-26(19-23-11-9-8-10-12-23)30(38)29(37)18-22(4)5/h13-16,21-23,26-30,37-38H,7-12,17-20H2,1-6H3,(H,34,39)(H,35,40)(H,36,41)/t26-,27?,28?,29-,30+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022635
PNG
(CHEMBL3142255 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1cccc2ccccc12)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/C36H55N3O6/c1-6-45-36(44)39-31(22-27-17-12-16-26-15-10-11-18-28(26)27)35(43)38-30(19-23(2)3)34(42)37-29(21-25-13-8-7-9-14-25)33(41)32(40)20-24(4)5/h10-12,15-18,23-25,29-33,40-41H,6-9,13-14,19-22H2,1-5H3,(H,37,42)(H,38,43)(H,39,44)/t29-,30?,31?,32-,33+/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014078
PNG
(A-62198 | CHEMBL291591 | N-{(S)-1-[(S)-1-((1S,2R,3...)
Show SMILES CC(C)C(=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/C30H44N8O5/c1-19(2)28(41)36-24(14-21-11-7-4-8-12-21)29(42)37-25(15-22-16-32-18-33-22)30(43)35-23(13-20-9-5-3-6-10-20)27(40)26(39)17-34-38-31/h4,7-8,11-12,16,18-20,23-27,39-40H,3,5-6,9-10,13-15,17H2,1-2H3,(H,32,33)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25-,26-,27+/m0/s1
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n/an/a 0.290n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022597
PNG
(CHEMBL3142268 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6/c1-6-41-32(40)35-27(20-24-15-11-8-12-16-24)31(39)34-26(17-21(2)3)30(38)33-25(19-23-13-9-7-10-14-23)29(37)28(36)18-22(4)5/h8,11-12,15-16,21-23,25-29,36-37H,6-7,9-10,13-14,17-20H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)/t25-,26?,27?,28?,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022619
PNG
(CHEMBL3348544 | N-[1-(1-Cyclohexylmethyl-2,3-dihyd...)
Show SMILES CC(C)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H53N5O4/c1-22(2)15-30(39)31(40)27(16-24-11-7-5-8-12-24)37-33(42)29(18-26-20-34-21-36-26)38-32(41)28(35-19-23(3)4)17-25-13-9-6-10-14-25/h6,9-10,13-14,20-24,27-31,35,39-40H,5,7-8,11-12,15-19H2,1-4H3,(H,34,36)(H,37,42)(H,38,41)/t27?,28?,29?,30-,31+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014084
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1
Show InChI InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/s1
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n/an/a 0.330n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014084
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1
Show InChI InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/s1
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n/an/a 0.370n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014081
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOC)Cc1ccccc1
Show InChI InChI=1S/C36H54N6O8/c1-4-42-22-31(50-36(42)47)33(44)29(18-26-13-9-6-10-14-26)39-35(46)30(20-28-21-37-23-38-28)40-34(45)27(17-25-11-7-5-8-12-25)19-32(43)41(2)15-16-49-24-48-3/h5,7-8,11-12,21,23,26-27,29-31,33,44H,4,6,9-10,13-20,22,24H2,1-3H3,(H,37,38)(H,39,46)(H,40,45)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 0.490n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022628
PNG
(CHEMBL3142261 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CSC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6S/c1-21(2)17-27(36)28(37)24(18-22-13-9-7-10-14-22)33-30(39)26(20-42-6)34-29(38)25(19-23-15-11-8-12-16-23)35-31(40)41-32(3,4)5/h8,11-12,15-16,21-22,24-28,36-37H,7,9-10,13-14,17-20H2,1-6H3,(H,33,39)(H,34,38)(H,35,40)/t24?,25?,26?,27-,28+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022603
PNG
(CHEMBL3348551 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
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)[C@@H](O)CC
Show InChI InChI=1S/C30H45N5O6/c1-3-26(36)27(37)23(15-20-11-7-5-8-12-20)33-29(39)25(17-22-18-31-19-32-22)34-28(38)24(35-30(40)41-4-2)16-21-13-9-6-10-14-21/h6,9-10,13-14,18-20,23-27,36-37H,3-5,7-8,11-12,15-17H2,1-2H3,(H,31,32)(H,33,39)(H,34,38)(H,35,40)/t23-,24?,25?,26?,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022599
PNG
(CHEMBL3142262 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H57N3O6/c1-22(2)18-27(31(40)35-26(20-24-14-10-8-11-15-24)30(39)29(38)19-23(3)4)36-32(41)28(21-25-16-12-9-13-17-25)37-33(42)43-34(5,6)7/h9,12-13,16-17,22-24,26-30,38-39H,8,10-11,14-15,18-21H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)/t26?,27?,28?,29-,30+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014084
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1
Show InChI InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/s1
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n/an/a 0.570n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014073
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOC)Cc1ccccc1
Show InChI InChI=1S/C35H52N6O7/c1-4-41-22-30(48-35(41)46)32(43)28(18-25-13-9-6-10-14-25)38-34(45)29(20-27-21-36-23-37-27)39-33(44)26(17-24-11-7-5-8-12-24)19-31(42)40(2)15-16-47-3/h5,7-8,11-12,21,23,25-26,28-30,32,43H,4,6,9-10,13-20,22H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)/t26-,28+,29+,30+,32-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022598
PNG
(CHEMBL3348548 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC[C@H](O)[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/C35H55N5O6/c1-23(2)16-17-30(41)31(42)27(18-24-12-8-6-9-13-24)38-33(44)29(20-26-21-36-22-37-26)39-32(43)28(19-25-14-10-7-11-15-25)40-34(45)46-35(3,4)5/h7,10-11,14-15,21-24,27-31,41-42H,6,8-9,12-13,16-20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t27-,28?,29?,30?,31+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022595
PNG
(CHEMBL3348552 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
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)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H49N5O6/c1-4-43-32(42)37-26(17-23-13-9-6-10-14-23)30(40)36-27(18-24-19-33-20-34-24)31(41)35-25(16-22-11-7-5-8-12-22)29(39)28(38)15-21(2)3/h6,9-10,13-14,19-22,25-29,38-39H,4-5,7-8,11-12,15-18H2,1-3H3,(H,33,34)(H,35,41)(H,36,40)(H,37,42)/t25-,26?,27?,28?,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022630
PNG
(CHEMBL3348531 | Cyclohexanecarboxylic acid {1-[1-(...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C36H55N5O5/c1-24(2)18-32(42)33(43)29(19-25-12-6-3-7-13-25)39-36(46)31(21-28-22-37-23-38-28)41-35(45)30(20-26-14-8-4-9-15-26)40-34(44)27-16-10-5-11-17-27/h4,8-9,14-15,22-25,27,29-33,42-43H,3,5-7,10-13,16-21H2,1-2H3,(H,37,38)(H,39,46)(H,40,44)(H,41,45)/t29?,30?,31?,32-,33+/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 inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022637
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C31H47N5O5/c1-20(2)14-28(38)29(39)25(15-22-10-6-4-7-11-22)35-31(41)27(17-24-18-32-19-33-24)36-30(40)26(34-21(3)37)16-23-12-8-5-9-13-23/h5,8-9,12-13,18-20,22,25-29,38-39H,4,6-7,10-11,14-17H2,1-3H3,(H,32,33)(H,34,37)(H,35,41)(H,36,40)/t25?,26?,27?,28-,29+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014079
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCO)Cc1ccccc1
Show InChI InChI=1S/C34H50N6O7/c1-3-40-21-29(47-34(40)46)31(43)27(17-24-12-8-5-9-13-24)37-33(45)28(19-26-20-35-22-36-26)38-32(44)25(16-23-10-6-4-7-11-23)18-30(42)39(2)14-15-41/h4,6-7,10-11,20,22,24-25,27-29,31,41,43H,3,5,8-9,12-19,21H2,1-2H3,(H,35,36)(H,37,45)(H,38,44)/t25-,27+,28+,29+,31-/m1/s1
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n/an/a 0.850n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011228
PNG
((R)-2-Benzyl-N-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H50N6O7/c1-2-40-22-30(48-35(40)46)32(43)28(18-25-11-7-4-8-12-25)38-34(45)29(20-27-21-36-23-37-27)39-33(44)26(17-24-9-5-3-6-10-24)19-31(42)41-13-15-47-16-14-41/h3,5-6,9-10,21,23,25-26,28-30,32,43H,2,4,7-8,11-20,22H2,1H3,(H,36,37)(H,38,45)(H,39,44)/t26-,28+,29+,30+,32-/m1/s1
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n/an/a 0.990n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022593
PNG
(CHEMBL3142304 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H51N3O6/c1-4-44-35(43)38-30(23-27-18-12-7-13-19-27)34(42)37-29(22-26-16-10-6-11-17-26)33(41)36-28(21-25-14-8-5-9-15-25)32(40)31(39)20-24(2)3/h6-7,10-13,16-19,24-25,28-32,39-40H,4-5,8-9,14-15,20-23H2,1-3H3,(H,36,41)(H,37,42)(H,38,43)/t28-,29?,30?,31-,32+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022638
PNG
(CHEMBL3348542 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H55N5O6/c1-19(2)13-24(36-30(41)42-31(5,6)7)28(39)35-25(16-22-17-32-18-33-22)29(40)34-23(15-21-11-9-8-10-12-21)27(38)26(37)14-20(3)4/h17-21,23-27,37-38H,8-16H2,1-7H3,(H,32,33)(H,34,40)(H,35,39)(H,36,41)/t23?,24?,25?,26-,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022607
PNG
(CHEMBL3348540 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
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)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H55N5O7/c1-22(2)16-30(41)31(42)27(17-23-10-8-7-9-11-23)38-33(44)29(19-25-20-36-21-37-25)39-32(43)28(40-34(45)47-35(3,4)5)18-24-12-14-26(46-6)15-13-24/h12-15,20-23,27-31,41-42H,7-11,16-19H2,1-6H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/t27?,28?,29?,30-,31+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022620
PNG
(CHEMBL3348532 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H53N5O6/c1-22(2)15-30(40)31(41)27(16-24-11-7-5-8-12-24)37-33(43)29(18-26-19-35-21-36-26)38-32(42)28(17-25-13-9-6-10-14-25)39-34(44)45-20-23(3)4/h6,9-10,13-14,19,21-24,27-31,40-41H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t27?,28?,29?,30-,31+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022615
PNG
(CHEMBL3348546 | N-{1-[1-(1-Cyclohexylmethyl-2,3-di...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C
Show InChI InChI=1S/C35H55N5O5/c1-23(2)16-30(41)32(43)27(17-24-12-8-6-9-13-24)39-34(45)29(19-26-21-36-22-37-26)40-33(44)28(18-25-14-10-7-11-15-25)38-31(42)20-35(3,4)5/h7,10-11,14-15,21-24,27-30,32,41,43H,6,8-9,12-13,16-20H2,1-5H3,(H,36,37)(H,38,42)(H,39,45)(H,40,44)/t27?,28?,29?,30-,32+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022611
PNG
(CHEMBL3142260 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O6/c1-23(2)19-29(40)30(41)26(20-24-13-8-6-9-14-24)36-32(43)28(22-39-18-12-17-35-39)37-31(42)27(21-25-15-10-7-11-16-25)38-33(44)45-34(3,4)5/h7,10-12,15-18,23-24,26-30,40-41H,6,8-9,13-14,19-22H2,1-5H3,(H,36,43)(H,37,42)(H,38,44)/t26?,27?,28?,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014081
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOC)Cc1ccccc1
Show InChI InChI=1S/C36H54N6O8/c1-4-42-22-31(50-36(42)47)33(44)29(18-26-13-9-6-10-14-26)39-35(46)30(20-28-21-37-23-38-28)40-34(45)27(17-25-11-7-5-8-12-25)19-32(43)41(2)15-16-49-24-48-3/h5,7-8,11-12,21,23,26-27,29-31,33,44H,4,6,9-10,13-20,22,24H2,1-3H3,(H,37,38)(H,39,46)(H,40,45)/t27-,29+,30+,31+,33-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022636
PNG
(CHEMBL3142269 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
Show InChI InChI=1S/C30H49N3O6/c1-5-26(34)27(35)23(18-21-13-9-7-10-14-21)31-28(36)24(17-20(3)4)32-29(37)25(33-30(38)39-6-2)19-22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-27,34-35H,5-7,9-10,13-14,17-19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)/t23-,24?,25?,26?,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011228
PNG
((R)-2-Benzyl-N-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H50N6O7/c1-2-40-22-30(48-35(40)46)32(43)28(18-25-11-7-4-8-12-25)38-34(45)29(20-27-21-36-23-37-27)39-33(44)26(17-24-9-5-3-6-10-24)19-31(42)41-13-15-47-16-14-41/h3,5-6,9-10,21,23,25-26,28-30,32,43H,2,4,7-8,11-20,22H2,1H3,(H,36,37)(H,38,45)(H,39,44)/t26-,28+,29+,30+,32-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014073
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOC)Cc1ccccc1
Show InChI InChI=1S/C35H52N6O7/c1-4-41-22-30(48-35(41)46)32(43)28(18-25-13-9-6-10-14-25)38-34(45)29(20-27-21-36-23-37-27)39-33(44)26(17-24-11-7-5-8-12-24)19-31(42)40(2)15-16-47-3/h5,7-8,11-12,21,23,25-26,28-30,32,43H,4,6,9-10,13-20,22H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)/t26-,28+,29+,30+,32-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022625
PNG
(CHEMBL3142263 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H55N3O6/c1-25(2)21-32(41)33(42)29(22-26-15-9-6-10-16-26)38-34(43)30(23-27-17-11-7-12-18-27)39-35(44)31(24-28-19-13-8-14-20-28)40-36(45)46-37(3,4)5/h7-8,11-14,17-20,25-26,29-33,41-42H,6,9-10,15-16,21-24H2,1-5H3,(H,38,43)(H,39,44)(H,40,45)/t29?,30?,31?,32-,33+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022634
PNG
(CHEMBL3348541 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H55N5O6/c1-24(2)18-33(44)34(45)30(19-25-12-7-6-8-13-25)41-36(47)32(21-28-22-39-23-40-28)42-35(46)31(43-37(48)49-38(3,4)5)20-27-16-11-15-26-14-9-10-17-29(26)27/h9-11,14-17,22-25,30-34,44-45H,6-8,12-13,18-21H2,1-5H3,(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t30?,31?,32?,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022616
PNG
(CHEMBL3348555 | [1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H51N5O7/c1-5-45-33(43)38-27(17-23-11-13-25(44-4)14-12-23)31(41)37-28(18-24-19-34-20-35-24)32(42)36-26(16-22-9-7-6-8-10-22)30(40)29(39)15-21(2)3/h11-14,19-22,26-30,39-40H,5-10,15-18H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t26-,27?,28?,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022613
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](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O6/c1-22(2)16-29(40)30(41)26(17-23-12-8-6-9-13-23)37-32(43)28(19-25-20-35-21-36-25)38-31(42)27(18-24-14-10-7-11-15-24)39-33(44)45-34(3,4)5/h7,10-11,14-15,20-23,26-30,40-41H,6,8-9,12-13,16-19H2,1-5H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t26?,27?,28?,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022610
PNG
(CHEMBL3348557 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)[C@H](O)[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/C33H51N5O6/c1-21(2)28(39)29(40)25(16-22-12-8-6-9-13-22)36-31(42)27(18-24-19-34-20-35-24)37-30(41)26(17-23-14-10-7-11-15-23)38-32(43)44-33(3,4)5/h7,10-11,14-15,19-22,25-29,39-40H,6,8-9,12-13,16-18H2,1-5H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t25-,26?,27?,28?,29+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014071
PNG
((R)-2-Benzyl-4-[(3R,4S)-3,4-bis-(2-methoxy-ethoxym...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1C[C@@H](OCOCCOC)[C@H](C1)OCOCCOC)Cc1ccccc1
Show InChI InChI=1S/C43H66N6O12/c1-4-48-26-38(61-43(48)54)40(51)34(20-31-13-9-6-10-14-31)46-42(53)35(22-33-23-44-27-45-33)47-41(52)32(19-30-11-7-5-8-12-30)21-39(50)49-24-36(59-28-57-17-15-55-2)37(25-49)60-29-58-18-16-56-3/h5,7-8,11-12,23,27,31-32,34-38,40,51H,4,6,9-10,13-22,24-26,28-29H2,1-3H3,(H,44,45)(H,46,53)(H,47,52)/t32-,34+,35+,36-,37+,38+,40-/m1/s1
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n/an/a 1.60n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014085
PNG
((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CCOCOCCOC
Show InChI InChI=1S/C38H59N7O10/c1-5-45-23-33(55-38(45)50)34(46)30(19-26-9-7-6-8-10-26)41-36(48)32(21-28-22-39-24-40-28)42-35(47)31(20-27-11-13-29(52-4)14-12-27)43-37(49)44(2)15-16-53-25-54-18-17-51-3/h11-14,22,24,26,30-34,46H,5-10,15-21,23,25H2,1-4H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49)/t30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014072
PNG
(CHEMBL58968 | N-[(S)-1-[(S)-1-[(1S,2R)-1-Cyclohexy...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(C)C
Show InChI InChI=1S/C34H50N6O7/c1-5-40-19-29(47-34(40)45)30(41)26(15-22-9-7-6-8-10-22)37-33(44)28(17-24-18-35-20-36-24)39-32(43)27(38-31(42)21(2)3)16-23-11-13-25(46-4)14-12-23/h11-14,18,20-22,26-30,41H,5-10,15-17,19H2,1-4H3,(H,35,36)(H,37,44)(H,38,42)(H,39,43)/t26-,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022624
PNG
(CHEMBL3348549 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES C[C@H](O)[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/C32H49N5O6/c1-5-27(38)28(39)24(16-21-12-8-6-9-13-21)35-30(41)26(18-23-19-33-20-34-23)36-29(40)25(17-22-14-10-7-11-15-22)37-31(42)43-32(2,3)4/h7,10-11,14-15,19-21,24-28,38-39H,5-6,8-9,12-13,16-18H2,1-4H3,(H,33,34)(H,35,41)(H,36,40)(H,37,42)/t24-,25?,26?,27?,28+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022629
PNG
(CHEMBL3142270 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](CC(C)C)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/C29H55N3O6/c1-8-38-29(37)32-24(15-19(4)5)28(36)31-23(14-18(2)3)27(35)30-22(17-21-12-10-9-11-13-21)26(34)25(33)16-20(6)7/h18-26,33-34H,8-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t22-,23?,24?,25-,26+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022600
PNG
(CHEMBL3348538 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C29H51N5O6/c1-6-40-29(39)34-23(12-18(2)3)27(37)33-24(15-21-16-30-17-31-21)28(38)32-22(14-20-10-8-7-9-11-20)26(36)25(35)13-19(4)5/h16-20,22-26,35-36H,6-15H2,1-5H3,(H,30,31)(H,32,38)(H,33,37)(H,34,39)/t22-,23?,24?,25?,26+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
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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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))
BDBM50022631
PNG
(2-(3-tert-Butyl-ureido)-N-[1-(1-cyclohexylmethyl-2...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C
Show InChI InChI=1S/C34H54N6O5/c1-22(2)16-29(41)30(42)26(17-23-12-8-6-9-13-23)37-32(44)28(19-25-20-35-21-36-25)38-31(43)27(18-24-14-10-7-11-15-24)39-33(45)40-34(3,4)5/h7,10-11,14-15,20-23,26-30,41-42H,6,8-9,12-13,16-19H2,1-5H3,(H,35,36)(H,37,44)(H,38,43)(H2,39,40,45)/t26?,27?,28?,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
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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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))
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022617
PNG
(CHEMBL3142274 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H59N3O6/c1-19(2)15-24(33-29(38)25(16-20(3)4)34-30(39)40-31(7,8)9)28(37)32-23(18-22-13-11-10-12-14-22)27(36)26(35)17-21(5)6/h19-27,35-36H,10-18H2,1-9H3,(H,32,37)(H,33,38)(H,34,39)/t23?,24?,25?,26-,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014079
PNG
((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCO)Cc1ccccc1
Show InChI InChI=1S/C34H50N6O7/c1-3-40-21-29(47-34(40)46)31(43)27(17-24-12-8-5-9-13-24)37-33(45)28(19-26-20-35-22-36-26)38-32(44)25(16-23-10-6-4-7-11-23)18-30(42)39(2)14-15-41/h4,6-7,10-11,20,22,24-25,27-29,31,41,43H,3,5,8-9,12-19,21H2,1-2H3,(H,35,36)(H,37,45)(H,38,44)/t25-,27+,28+,29+,31-/m1/s1
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n/an/a 2.5n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014083
PNG
((R)-2-Benzyl-4-((3R,4S)-3,4-bis-methoxymethoxy-pyr...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1C[C@@H](OCOC)[C@H](C1)OCOC)Cc1ccccc1
Show InChI InChI=1S/C39H58N6O10/c1-4-44-22-34(55-39(44)50)36(47)30(16-27-13-9-6-10-14-27)42-38(49)31(18-29-19-40-23-41-29)43-37(48)28(15-26-11-7-5-8-12-26)17-35(46)45-20-32(53-24-51-2)33(21-45)54-25-52-3/h5,7-8,11-12,19,23,27-28,30-34,36,47H,4,6,9-10,13-18,20-22,24-25H2,1-3H3,(H,40,41)(H,42,49)(H,43,48)/t28-,30+,31+,32-,33+,34+,36-/m1/s1
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n/an/a 2.70n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
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))
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))
BDBM50014077
PNG
(CHEMBL61777 | Morpholine-4-carboxylic acid [(S)-1-...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C35H51N7O8/c1-3-41-21-30(50-35(41)47)31(43)27(17-23-7-5-4-6-8-23)38-33(45)29(19-25-20-36-22-37-25)39-32(44)28(18-24-9-11-26(48-2)12-10-24)40-34(46)42-13-15-49-16-14-42/h9-12,20,22-23,27-31,43H,3-8,13-19,21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 3.40n/an/an/an/a6.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


J Med Chem 33: 1962-9 (1990)


BindingDB Entry DOI: 10.7270/Q2KW5GN2
More data for this
Ligand-Target Pair
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