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112 molecules are shown

Compile data set for download or QSAR
Wt: 724.9
BDBM50011708
Wt: 666.8
BDBM50011710
Wt: 652.8
BDBM50011711
Wt: 771.9
BDBM50011712
Wt: 627.8
BDBM50011713
Wt: 652.8
BDBM50011715
Wt: 668.8
BDBM50011693
Wt: 628.7
BDBM50014050
Wt: 640.7
BDBM50014061
Wt: 943.1
BDBM50014102
Wt: 680.8
BDBM50015989
Wt: 571.7
BDBM50022603
Wt: 599.7
BDBM50022595
Wt: 812.9
BDBM50022862
Wt: 827.0
BDBM50022864
<<  First   |  Previous   |  Displayed 16 to 30 (of 112 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50011708,50011710,50011711,50011712,50011713,50011715,50011693,50014050,50014061,50014102,50015989,50022603,50022595,50022862,50022864   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


Article DOI: 10.1021/jm00168a009
BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011710
PNG
(CHEMBL355458 | {1-[1-[1-Cyclohexylmethyl-2-(5-ethy...)
Show SMILES CC[C@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C
Show InChI InChI=1S/C36H54N6O6/c1-6-26-20-27(34(46)42(26)5)31(43)28(17-23-13-9-7-10-14-23)39-33(45)30(19-25-21-37-22-38-25)40-32(44)29(18-24-15-11-8-12-16-24)41-35(47)48-36(2,3)4/h8,11-12,15-16,21-23,26-31,43H,6-7,9-10,13-14,17-20H2,1-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 5.30n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
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)


Article DOI: 10.1021/jm00168a009
BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014102
PNG
(Boc-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-THAM Ami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NC(CO)(CO)CO
Show InChI InChI=1S/C48H78N8O11/c1-11-31(6)40(44(64)54-48(25-57,26-58)27-59)53-41(61)34(30(4)5)23-39(60)35(20-29(2)3)51-43(63)38(22-33-24-49-28-50-33)55(10)45(65)36(21-32-16-13-12-14-17-32)52-42(62)37-18-15-19-56(37)46(66)67-47(7,8)9/h12-14,16-17,24,28-31,34-40,57-60H,11,15,18-23,25-27H2,1-10H3,(H,49,50)(H,51,63)(H,52,62)(H,53,61)(H,54,64)/t31-,34+,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


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



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 33: 371-4 (1990)


Article DOI: 10.1021/jm00163a059
BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011710
PNG
(CHEMBL355458 | {1-[1-[1-Cyclohexylmethyl-2-(5-ethy...)
Show SMILES CC[C@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C
Show InChI InChI=1S/C36H54N6O6/c1-6-26-20-27(34(46)42(26)5)31(43)28(17-23-13-9-7-10-14-23)39-33(45)30(19-25-21-37-22-38-25)40-32(44)29(18-24-15-11-8-12-16-24)41-35(47)48-36(2,3)4/h8,11-12,15-16,21-23,26-31,43H,6-7,9-10,13-14,17-20H2,1-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,47)/t26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 3.30n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022595
PNG
(CHEMBL3348552 | CHEMBL432919 | {1-[1-(1-Cyclohexyl...)
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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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)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022603
PNG
(CHEMBL3348551 | CHEMBL73689 | {1-[1-(1-Cyclohexylm...)
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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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)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022862
PNG
(Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pepsin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022864
PNG
(Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL31824...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C42H66N8O9/c1-13-26(6)34(38(54)46-32(40(56)58-12)21-29-22-43-23-44-29)49-37(53)33(25(4)5)48-36(52)30(19-24(2)3)45-35(51)27(7)50(11)39(55)31(20-28-17-15-14-16-18-28)47-41(57)59-42(8,9)10/h14-18,22-27,30-34H,13,19-21H2,1-12H3,(H,43,44)(H,45,51)(H,46,54)(H,47,57)(H,48,52)(H,49,53)/t26-,27-,30-,31-,32-,33-,34-/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
Inhibitory activity against human renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Mus musculus)
BDBM50022864
PNG
(Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL31824...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C42H66N8O9/c1-13-26(6)34(38(54)46-32(40(56)58-12)21-29-22-43-23-44-29)49-37(53)33(25(4)5)48-36(52)30(19-24(2)3)45-35(51)27(7)50(11)39(55)31(20-28-17-15-14-16-18-28)47-41(57)59-42(8,9)10/h14-18,22-27,30-34H,13,19-21H2,1-12H3,(H,43,44)(H,45,51)(H,46,54)(H,47,57)(H,48,52)(H,49,53)/t26-,27-,30-,31-,32-,33-,34-/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
Inhibitory activity against mouse renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022864
PNG
(Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL31824...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C42H66N8O9/c1-13-26(6)34(38(54)46-32(40(56)58-12)21-29-22-43-23-44-29)49-37(53)33(25(4)5)48-36(52)30(19-24(2)3)45-35(51)27(7)50(11)39(55)31(20-28-17-15-14-16-18-28)47-41(57)59-42(8,9)10/h14-18,22-27,30-34H,13,19-21H2,1-12H3,(H,43,44)(H,45,51)(H,46,54)(H,47,57)(H,48,52)(H,49,53)/t26-,27-,30-,31-,32-,33-,34-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022864
PNG
(Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL31824...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C42H66N8O9/c1-13-26(6)34(38(54)46-32(40(56)58-12)21-29-22-43-23-44-29)49-37(53)33(25(4)5)48-36(52)30(19-24(2)3)45-35(51)27(7)50(11)39(55)31(20-28-17-15-14-16-18-28)47-41(57)59-42(8,9)10/h14-18,22-27,30-34H,13,19-21H2,1-12H3,(H,43,44)(H,45,51)(H,46,54)(H,47,57)(H,48,52)(H,49,53)/t26-,27-,30-,31-,32-,33-,34-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pepsin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022862
PNG
(Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022862
PNG
(Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Mus musculus)
BDBM50022862
PNG
(Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011693
PNG
(CHEMBL352839 | {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]1CCN(CCO)C1=O
Show InChI InChI=1S/C35H52N6O7/c1-35(2,3)48-34(47)40-28(19-24-12-8-5-9-13-24)31(44)39-29(20-25-21-36-22-37-25)32(45)38-27(18-23-10-6-4-7-11-23)30(43)26-14-15-41(16-17-42)33(26)46/h5,8-9,12-13,21-23,26-30,42-43H,4,6-7,10-11,14-20H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)(H,40,47)/t26-,27-,28-,29-,30-/m0/s1
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n/an/a 7.70n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011708
PNG
(CHEMBL171319 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C40H64N6O6/c1-8-27(4)23-42-36(48)31(26(2)3)22-35(47)32(19-28-15-11-9-12-16-28)44-38(50)34(21-30-24-41-25-43-30)45-37(49)33(20-29-17-13-10-14-18-29)46-39(51)52-40(5,6)7/h10,13-14,17-18,24-28,31-35,47H,8-9,11-12,15-16,19-23H2,1-7H3,(H,41,43)(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t27-,31-,32-,33-,34-,35-/m0/s1
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n/an/a 1.5n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011711
PNG
(CHEMBL170187 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1CCCC([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C35H52N6O6/c1-35(2,3)47-34(46)40-28(19-24-14-9-6-10-15-24)31(43)39-29(20-25-21-36-22-37-25)32(44)38-27(18-23-12-7-5-8-13-23)30(42)26-16-11-17-41(4)33(26)45/h6,9-10,14-15,21-23,26-30,42H,5,7-8,11-13,16-20H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)(H,40,46)/t26?,27-,28-,29-,30-/m0/s1
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n/an/a>2.00E+4n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011712
PNG
(CHEMBL171185 | {1-[1-{2-[1-(3-Benzylamino-propyl)-...)
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]1CCN(CCCNCc2ccccc2)C1=O
Show InChI InChI=1S/C43H61N7O6/c1-43(2,3)56-42(55)49-36(25-31-16-9-5-10-17-31)39(52)48-37(26-33-28-45-29-46-33)40(53)47-35(24-30-14-7-4-8-15-30)38(51)34-20-23-50(41(34)54)22-13-21-44-27-32-18-11-6-12-19-32/h5-6,9-12,16-19,28-30,34-38,44,51H,4,7-8,13-15,20-27H2,1-3H3,(H,45,46)(H,47,53)(H,48,52)(H,49,55)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 14n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
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/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011715
PNG
(CHEMBL434110 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1CCCC([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C35H52N6O6/c1-35(2,3)47-34(46)40-28(19-24-14-9-6-10-15-24)31(43)39-29(20-25-21-36-22-37-25)32(44)38-27(18-23-12-7-5-8-13-23)30(42)26-16-11-17-41(4)33(26)45/h6,9-10,14-15,21-23,26-30,42H,5,7-8,11-13,16-20H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)(H,40,46)/t26?,27-,28-,29-,30+/m0/s1
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n/an/a 47n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
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 29n/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)


Article DOI: 10.1021/jm00168a009
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 63n/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)


Article DOI: 10.1021/jm00168a009
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)


Article DOI: 10.1021/jm00168a009
BindingDB Entry DOI: 10.7270/Q2NK3D0G
More data for this
Ligand-Target Pair