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7 similar compounds to monomer 50002974

Compile data set for download or QSAR
Wt: 692.8
BDBM50002988
Wt: 681.9
BDBM50002980
Wt: 806.0
BDBM50002991
Wt: 681.9
BDBM50002983
Wt: 639.8
BDBM50002971
Wt: 699.9
BDBM50002986
Wt: 667.9
BDBM50002975

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50002988,50002980,50002991,50002983,50002971,50002986,50002975   
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
Cathepsin D


(Bos taurus)
BDBM50002971
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C34H49N5O5S/c1-24(37-33(42)30(23-26-12-6-3-7-13-26)44-34(43)39-19-15-27(35)16-20-39)32(41)38-28(22-25-10-4-2-5-11-25)29(40)17-21-45-31-14-8-9-18-36-31/h3,6-9,12-14,18,24-25,27-30,40H,2,4-5,10-11,15-17,19-23,35H2,1H3,(H,37,42)(H,38,41)/t24?,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on bovine cathepsin D


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002983
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-26(2)23-31(41-36(45)33(25-28-13-7-4-8-14-28)47-37(46)42-20-16-29(38)17-21-42)35(44)40-30(24-27-11-5-3-6-12-27)32(43)18-22-48-34-15-9-10-19-39-34/h4,7-10,13-15,19,26-27,29-33,43H,3,5-6,11-12,16-18,20-25,38H2,1-2H3,(H,40,44)(H,41,45)/t30-,31?,32-,33-/m0/s1
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n/an/a 130n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50002975
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C36H53N5O5S/c1-2-11-29(39-35(44)32(25-27-14-7-4-8-15-27)46-36(45)41-21-17-28(37)18-22-41)34(43)40-30(24-26-12-5-3-6-13-26)31(42)19-23-47-33-16-9-10-20-38-33/h4,7-10,14-16,20,26,28-32,42H,2-3,5-6,11-13,17-19,21-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on porcine pepsin.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50002980
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CCCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-2-3-16-30(40-36(45)33(26-28-14-8-5-9-15-28)47-37(46)42-22-18-29(38)19-23-42)35(44)41-31(25-27-12-6-4-7-13-27)32(43)20-24-48-34-17-10-11-21-39-34/h5,8-11,14-15,17,21,27,29-33,43H,2-4,6-7,12-13,16,18-20,22-26,38H2,1H3,(H,40,45)(H,41,44)/t30?,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on bovine cathepsin D


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002975
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C36H53N5O5S/c1-2-11-29(39-35(44)32(25-27-14-7-4-8-15-27)46-36(45)41-21-17-28(37)18-22-41)34(43)40-30(24-26-12-5-3-6-13-26)31(42)19-23-47-33-16-9-10-20-38-33/h4,7-10,14-16,20,26,28-32,42H,2-3,5-6,11-13,17-19,21-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1
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n/an/a 37n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50002983
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-26(2)23-31(41-36(45)33(25-28-13-7-4-8-14-28)47-37(46)42-20-16-29(38)17-21-42)35(44)40-30(24-27-11-5-3-6-12-27)32(43)18-22-48-34-15-9-10-19-39-34/h4,7-10,13-15,19,26-27,29-33,43H,3,5-6,11-12,16-18,20-25,38H2,1-2H3,(H,40,44)(H,41,45)/t30-,31?,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on bovine cathepsin D


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002986
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C36H53N5O5S2/c1-47-22-17-29(39-35(44)32(25-27-12-6-3-7-13-27)46-36(45)41-20-15-28(37)16-21-41)34(43)40-30(24-26-10-4-2-5-11-26)31(42)18-23-48-33-14-8-9-19-38-33/h3,6-9,12-14,19,26,28-32,42H,2,4-5,10-11,15-18,20-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1
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n/an/a 140n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002980
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CCCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-2-3-16-30(40-36(45)33(26-28-14-8-5-9-15-28)47-37(46)42-22-18-29(38)19-23-42)35(44)41-31(25-27-12-6-4-7-13-27)32(43)20-24-48-34-17-10-11-21-39-34/h5,8-11,14-15,17,21,27,29-33,43H,2-4,6-7,12-13,16,18-20,22-26,38H2,1H3,(H,40,45)(H,41,44)/t30?,31-,32-,33-/m0/s1
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n/an/a 58n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002988
PNG
(CHEMBL118172 | Morpholine-4-carboxylic acid 1-[1-[...)
Show SMILES O[C@@H](CCSc1ccccn1)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1
Show InChI InChI=1S/C36H48N6O6S/c43-31(14-20-49-33-13-7-8-15-38-33)29(21-26-9-3-1-4-10-26)40-34(44)30(23-28-24-37-25-39-28)41-35(45)32(22-27-11-5-2-6-12-27)48-36(46)42-16-18-47-19-17-42/h2,5-8,11-13,15,24-26,29-32,43H,1,3-4,9-10,14,16-23H2,(H,37,39)(H,40,44)(H,41,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 250n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50002986
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C36H53N5O5S2/c1-47-22-17-29(39-35(44)32(25-27-12-6-3-7-13-27)46-36(45)41-20-15-28(37)16-21-41)34(43)40-30(24-26-10-4-2-5-11-26)31(42)18-23-48-33-14-8-9-19-38-33/h3,6-9,12-14,19,26,28-32,42H,2,4-5,10-11,15-18,20-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on porcine pepsin.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50002983
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-26(2)23-31(41-36(45)33(25-28-13-7-4-8-14-28)47-37(46)42-20-16-29(38)17-21-42)35(44)40-30(24-27-11-5-3-6-12-27)32(43)18-22-48-34-15-9-10-19-39-34/h4,7-10,13-15,19,26-27,29-33,43H,3,5-6,11-12,16-18,20-25,38H2,1-2H3,(H,40,44)(H,41,45)/t30-,31?,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on porcine pepsin.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002991
PNG
(4-tert-Butoxycarbonylamino-piperidine-1-carboxylic...)
Show SMILES CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C42H59N7O7S/c1-42(2,3)56-40(53)46-31-17-21-49(22-18-31)41(54)55-36(25-30-14-8-5-9-15-30)39(52)48-34(26-32-27-43-28-45-32)38(51)47-33(24-29-12-6-4-7-13-29)35(50)19-23-57-37-16-10-11-20-44-37/h5,8-11,14-16,20,27-29,31,33-36,50H,4,6-7,12-13,17-19,21-26H2,1-3H3,(H,43,45)(H,46,53)(H,47,51)(H,48,52)/t33-,34-,35-,36-/m0/s1
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n/an/a 230n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50002986
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C36H53N5O5S2/c1-47-22-17-29(39-35(44)32(25-27-12-6-3-7-13-27)46-36(45)41-20-15-28(37)16-21-41)34(43)40-30(24-26-10-4-2-5-11-26)31(42)18-23-48-33-14-8-9-19-38-33/h3,6-9,12-14,19,26,28-32,42H,2,4-5,10-11,15-18,20-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on bovine cathepsin D


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50002980
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CCCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-2-3-16-30(40-36(45)33(26-28-14-8-5-9-15-28)47-37(46)42-22-18-29(38)19-23-42)35(44)41-31(25-27-12-6-4-7-13-27)32(43)20-24-48-34-17-10-11-21-39-34/h5,8-11,14-15,17,21,27,29-33,43H,2-4,6-7,12-13,16,18-20,22-26,38H2,1H3,(H,40,45)(H,41,44)/t30?,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on porcine pepsin.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50002971
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C34H49N5O5S/c1-24(37-33(42)30(23-26-12-6-3-7-13-26)44-34(43)39-19-15-27(35)16-20-39)32(41)38-28(22-25-10-4-2-5-11-25)29(40)17-21-45-31-14-8-9-18-36-31/h3,6-9,12-14,18,24-25,27-30,40H,2,4-5,10-11,15-17,19-23,35H2,1H3,(H,37,42)(H,38,41)/t24?,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on porcine pepsin.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50002975
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C36H53N5O5S/c1-2-11-29(39-35(44)32(25-27-14-7-4-8-15-27)46-36(45)41-21-17-28(37)18-22-41)34(43)40-30(24-26-12-5-3-6-13-26)31(42)19-23-47-33-16-9-10-20-38-33/h4,7-10,14-16,20,26,28-32,42H,2-3,5-6,11-13,17-19,21-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured on bovine cathepsin D


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002971
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C34H49N5O5S/c1-24(37-33(42)30(23-26-12-6-3-7-13-26)44-34(43)39-19-15-27(35)16-20-39)32(41)38-28(22-25-10-4-2-5-11-25)29(40)17-21-45-31-14-8-9-18-36-31/h3,6-9,12-14,18,24-25,27-30,40H,2,4-5,10-11,15-17,19-23,35H2,1H3,(H,37,42)(H,38,41)/t24?,28-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 770n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair