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35 similar compounds to monomer 50006202

Compile data set for download or QSAR
Wt: 1331.5
BDBM50022018
Wt: 686.8
BDBM50008522
Wt: 627.8
BDBM50011713
Wt: 626.7
BDBM50017777
Wt: 571.7
BDBM50022603
Wt: 599.7
BDBM50022595
Wt: 569.7
BDBM50022637
Wt: 626.8
BDBM50022631
Wt: 641.8
BDBM50022640
Wt: 629.7
BDBM50022616
Wt: 585.7
BDBM50022624
Wt: 627.8
BDBM50022613
Wt: 627.8
BDBM50405639
Wt: 627.8
BDBM50405638
Wt: 571.7
BDBM50022606
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50022018,50008522,50011713,50017777,50022603,50022595,50022637,50022631,50022640,50022616,50022624,50022613,50405639,50405638,50022606   
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))
BDBM50008522
PNG
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23-,24+,26-,27-,28?,29+,30+,31+,32+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human kidney renin


J Med Chem 35: 559-67 (1992)


Article DOI: 10.1021/jm00081a019
BindingDB Entry DOI: 10.7270/Q24748TV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50008522
PNG
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23-,24+,26-,27-,28?,29+,30+,31+,32+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of sheep plasma renin


J Med Chem 35: 559-67 (1992)


Article DOI: 10.1021/jm00081a019
BindingDB Entry DOI: 10.7270/Q24748TV
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
Renin


(Homo sapiens (Human))
BDBM50022606
PNG
(CHEMBL3348550 | CHEMBL431964 | {1-[1-(1-Cyclohexyl...)
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)CO
Show InChI InChI=1S/C30H45N5O6/c1-30(2,3)41-29(40)35-24(15-21-12-8-5-9-13-21)27(38)34-25(16-22-17-31-19-32-22)28(39)33-23(26(37)18-36)14-20-10-6-4-7-11-20/h5,8-9,12-13,17,19-20,23-26,36-37H,4,6-7,10-11,14-16,18H2,1-3H3,(H,31,32)(H,33,39)(H,34,38)(H,35,40)/t23-,24?,25?,26-/m0/s1
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n/an/a 50n/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))
BDBM50022613
PNG
(CHEMBL430933 | CHEMBL75779 | {1-[1-(1-Cyclohexylme...)
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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n/an/a 1.5n/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
Renin


(Homo sapiens (Human))
BDBM50022616
PNG
(CHEMBL3348555 | CHEMBL405701 | [1-[1-(1-Cyclohexyl...)
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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n/an/a 1.5n/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
Renin


(Homo sapiens (Human))
BDBM50022624
PNG
(CHEMBL3348549 | CHEMBL437634 | {1-[1-(1-Cyclohexyl...)
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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n/an/a 2n/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))
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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n/an/a 2n/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))
BDBM50022640
PNG
(CHEMBL308251 | CHEMBL3348556 | {1-[1-(1-Cyclohexyl...)
Show SMILES CC(C)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/C31H47N5O6/c1-20(37)27(38)24(15-21-11-7-5-8-12-21)34-29(40)26(17-23-18-32-19-33-23)35-28(39)25(16-22-13-9-6-10-14-22)36-30(41)42-31(2,3)4/h6,9-10,13-14,18-21,24-27,37-38H,5,7-8,11-12,15-17H2,1-4H3,(H,32,33)(H,34,40)(H,35,39)(H,36,41)/t20?,24-,25?,26?,27-/m0/s1
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n/an/a 4n/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))
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)


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


(Homo sapiens (Human))
BDBM50405638
PNG
(CHEMBL2114113 | CHEMBL3348524)
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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n/an/a 70n/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))
BDBM50405639
PNG
(CHEMBL2115158 | CHEMBL3348523)
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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n/an/a 95n/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))
BDBM50017777
PNG
(CHEMBL281436 | N-[1-[1-(4-Azido-1-cyclohexylmethyl...)
Show SMILES COc1ccc(C[C@H](NC(=O)C(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)CN=[N+]=[N-])cc1
Show InChI InChI=1S/C31H46N8O6/c1-19(2)29(42)37-25(14-21-9-11-23(45-3)12-10-21)30(43)38-26(15-22-16-33-18-34-22)31(44)36-24(13-20-7-5-4-6-8-20)28(41)27(40)17-35-39-32/h9-12,16,18-20,24-28,40-41H,4-8,13-15,17H2,1-3H3,(H,33,34)(H,36,44)(H,37,42)(H,38,43)/t24-,25+,26+,27-,28+/m1/s1
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n/an/a 10n/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 32: 1371-8 (1989)


Article DOI: 10.1021/jm00126a038
BindingDB Entry DOI: 10.7270/Q2474BFR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50017777
PNG
(CHEMBL281436 | N-[1-[1-(4-Azido-1-cyclohexylmethyl...)
Show SMILES COc1ccc(C[C@H](NC(=O)C(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)CN=[N+]=[N-])cc1
Show InChI InChI=1S/C31H46N8O6/c1-19(2)29(42)37-25(14-21-9-11-23(45-3)12-10-21)30(43)38-26(15-22-16-33-18-34-22)31(44)36-24(13-20-7-5-4-6-8-20)28(41)27(40)17-35-39-32/h9-12,16,18-20,24-28,40-41H,4-8,13-15,17H2,1-3H3,(H,33,34)(H,36,44)(H,37,42)(H,38,43)/t24-,25+,26+,27-,28+/m1/s1
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n/an/a 2n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


J Med Chem 32: 1371-8 (1989)


Article DOI: 10.1021/jm00126a038
BindingDB Entry DOI: 10.7270/Q2474BFR
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


(Rattus norvegicus)
BDBM50022018
PNG
(CHEMBL2372761 | Pro-His-Pro-Phe-His-Statine-Tyr-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H90N16O14/c1-38(2)26-48(56(86)32-57(87)74-49(28-40-15-19-44(84)20-16-40)60(90)77-50(29-41-17-21-45(85)22-18-41)62(92)81-54(35-83)64(94)75-46(58(68)88)12-6-7-23-67)76-63(93)52(30-42-33-69-36-72-42)78-61(91)51(27-39-10-4-3-5-11-39)79-65(95)55-14-9-25-82(55)66(96)53(31-43-34-70-37-73-43)80-59(89)47-13-8-24-71-47/h3-5,10-11,15-22,33-34,36-38,46-56,71,83-86H,6-9,12-14,23-32,35,67H2,1-2H3,(H2,68,88)(H,69,72)(H,70,73)(H,74,87)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H,80,89)(H,81,92)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022613
PNG
(CHEMBL430933 | CHEMBL75779 | {1-[1-(1-Cyclohexylme...)
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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n/an/a 35n/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))
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