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PubMed code 1404233

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
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))
BDBM50002969
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C
Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/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))
BDBM50002985
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nccs1
Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 5n/an/an/an/an/an/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))
BDBM50002967
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1
Show InChI InChI=1S/C34H49N5O5S2/c1-45-22-28(32(41)37-27(20-24-10-4-2-5-11-24)29(40)23-46-31-14-8-9-17-36-31)38-33(42)30(21-25-12-6-3-7-13-25)44-34(43)39-18-15-26(35)16-19-39/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,37,41)(H,38,42)/t27-,28-,29-,30-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/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))
BDBM50002989
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C35H51N5O5S2/c1-46-24-29(39-34(43)31(23-26-12-6-3-7-13-26)45-35(44)40-19-15-27(36)16-20-40)33(42)38-28(22-25-10-4-2-5-11-25)30(41)17-21-47-32-14-8-9-18-37-32/h3,6-9,12-14,18,25,27-31,41H,2,4-5,10-11,15-17,19-24,36H2,1H3,(H,38,42)(H,39,43)/t28-,29?,30-,31-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/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))
BDBM50002992
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc[nH]1
Show InChI InChI=1S/C31H47N7O5S2/c1-44-18-25(28(40)35-24(16-21-8-4-2-5-9-21)26(39)19-45-30-33-20-34-37-30)36-29(41)27(17-22-10-6-3-7-11-22)43-31(42)38-14-12-23(32)13-15-38/h3,6-7,10-11,20-21,23-27,39H,2,4-5,8-9,12-19,32H2,1H3,(H,35,40)(H,36,41)(H,33,34,37)/t24-,25-,26-,27-/m0/s1
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n/an/a 15.5n/an/an/an/an/an/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))
BDBM50002977
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnc(C)s1
Show InChI InChI=1S/C33H50N6O5S3/c1-22-37-38-32(47-22)46-18-15-28(40)26(19-23-9-5-3-6-10-23)35-30(41)27(21-45-2)36-31(42)29(20-24-11-7-4-8-12-24)44-33(43)39-16-13-25(34)14-17-39/h4,7-8,11-12,23,25-29,40H,3,5-6,9-10,13-21,34H2,1-2H3,(H,35,41)(H,36,42)/t26-,27-,28-,29-/m0/s1
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n/an/a 16n/an/an/an/an/an/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))
BDBM50002974
PNG
(4-Amino-piperidine-1-carboxylic acid 1-[1-[1-cyclo...)
Show SMILES 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/C37H51N7O5S/c38-28-14-18-44(19-15-28)37(48)49-33(22-27-11-5-2-6-12-27)36(47)43-31(23-29-24-39-25-41-29)35(46)42-30(21-26-9-3-1-4-10-26)32(45)16-20-50-34-13-7-8-17-40-34/h2,5-8,11-13,17,24-26,28,30-33,45H,1,3-4,9-10,14-16,18-23,38H2,(H,39,41)(H,42,46)(H,43,47)/t30-,31-,32-,33-/m0/s1
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n/an/a 33n/an/an/an/an/an/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))
BDBM50002979
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnnn1C
Show InChI InChI=1S/C32H50N8O5S2/c1-39-31(36-37-38-39)47-18-15-27(41)25(19-22-9-5-3-6-10-22)34-29(42)26(21-46-2)35-30(43)28(20-23-11-7-4-8-12-23)45-32(44)40-16-13-24(33)14-17-40/h4,7-8,11-12,22,24-28,41H,3,5-6,9-10,13-21,33H2,1-2H3,(H,34,42)(H,35,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 34n/an/an/an/an/an/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))
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/an/an/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))
BDBM50002987
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncccn1
Show InChI InChI=1S/C34H50N6O5S2/c1-46-23-28(39-32(43)30(22-25-11-6-3-7-12-25)45-34(44)40-18-13-26(35)14-19-40)31(42)38-27(21-24-9-4-2-5-10-24)29(41)15-20-47-33-36-16-8-17-37-33/h3,6-8,11-12,16-17,24,26-30,41H,2,4-5,9-10,13-15,18-23,35H2,1H3,(H,38,42)(H,39,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 41n/an/an/an/an/an/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))
BDBM50002972
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccccc1=O
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-28(32(42)36-27(20-24-10-4-2-5-11-24)29(40)22-39-17-9-8-14-31(39)41)37-33(43)30(21-25-12-6-3-7-13-25)45-34(44)38-18-15-26(35)16-19-38/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 41n/an/an/an/an/an/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))
BDBM50002990
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccccn1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-28(32(41)37-27(20-24-10-4-2-5-11-24)29(40)22-44-31-14-8-9-17-36-31)38-33(42)30(21-25-12-6-3-7-13-25)45-34(43)39-18-15-26(35)16-19-39/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,37,41)(H,38,42)/t27-,28-,29-,30-/m0/s1
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n/an/a 42n/an/an/an/an/an/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))
BDBM50002994
PNG
(2-Benzyl-N-[1-[1-cyclohexylmethyl-2-hydroxy-4-(pyr...)
Show SMILES CC(C)(C)S(=O)(=O)C[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/C36H51N5O5S2/c1-36(2,3)48(45,46)24-28(20-26-12-6-4-7-13-26)34(43)41-31(22-29-23-37-25-39-29)35(44)40-30(21-27-14-8-5-9-15-27)32(42)17-19-47-33-16-10-11-18-38-33/h4,6-7,10-13,16,18,23,25,27-28,30-32,42H,5,8-9,14-15,17,19-22,24H2,1-3H3,(H,37,39)(H,40,44)(H,41,43)/t28-,30+,31+,32+/m1/s1
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n/an/a 46n/an/an/an/an/an/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
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50002973
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccncc1
Show InChI InChI=1S/C35H51N5O5S2/c1-46-24-30(39-34(43)32(23-26-10-6-3-7-11-26)45-35(44)40-19-14-27(36)15-20-40)33(42)38-29(22-25-8-4-2-5-9-25)31(41)16-21-47-28-12-17-37-18-13-28/h3,6-7,10-13,17-18,25,27,29-32,41H,2,4-5,8-9,14-16,19-24,36H2,1H3,(H,38,42)(H,39,43)/t29-,30-,31-,32-/m0/s1
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n/an/a 53n/an/an/an/an/an/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))
BDBM50002976
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccncc1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(41)37-28(20-24-8-4-2-5-9-24)30(40)22-44-27-12-16-36-17-13-27)38-33(42)31(21-25-10-6-3-7-11-25)45-34(43)39-18-14-26(35)15-19-39/h3,6-7,10-13,16-17,24,26,28-31,40H,2,4-5,8-9,14-15,18-23,35H2,1H3,(H,37,41)(H,38,42)/t28-,29-,30-,31-/m0/s1
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PubMed
n/an/a 56n/an/an/an/an/an/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/an/an/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))
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/an/an/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))
BDBM50002978
PNG
(CHEMBL119893 | {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)NC(CC1CCCCC1)C(O)CCSc1ccccn1
Show InChI InChI=1S/C36H50N6O5S/c1-36(2,3)47-35(46)42-29(21-26-14-8-5-9-15-26)33(44)41-30(22-27-23-37-24-39-27)34(45)40-28(20-25-12-6-4-7-13-25)31(43)17-19-48-32-16-10-11-18-38-32/h5,8-11,14-16,18,23-25,28-31,43H,4,6-7,12-13,17,19-22H2,1-3H3,(H,37,39)(H,40,45)(H,41,44)(H,42,46)/t28?,29-,30-,31?/m0/s1
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n/an/a 130n/an/an/an/an/an/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))
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/an/an/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))
BDBM50002995
PNG
(CHEMBL327068 | {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)NC(CC1CCCCC1)C(O)COc1ccccn1
Show InChI InChI=1S/C35H48N6O6/c1-35(2,3)47-34(45)41-28(19-25-14-8-5-9-15-25)32(43)40-29(20-26-21-36-23-38-26)33(44)39-27(18-24-12-6-4-7-13-24)30(42)22-46-31-16-10-11-17-37-31/h5,8-11,14-17,21,23-24,27-30,42H,4,6-7,12-13,18-20,22H2,1-3H3,(H,36,38)(H,39,44)(H,40,43)(H,41,45)/t27?,28-,29-,30?/m0/s1
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n/an/a 140n/an/an/an/an/an/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))
BDBM50002993
PNG
(CHEMBL334319 | {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)NC(CC1CCCCC1)C(O)CSc1ccccn1
Show InChI InChI=1S/C35H48N6O5S/c1-35(2,3)46-34(45)41-28(19-25-14-8-5-9-15-25)32(43)40-29(20-26-21-36-23-38-26)33(44)39-27(18-24-12-6-4-7-13-24)30(42)22-47-31-16-10-11-17-37-31/h5,8-11,14-17,21,23-24,27-30,42H,4,6-7,12-13,18-20,22H2,1-3H3,(H,36,38)(H,39,44)(H,40,43)(H,41,45)/t27?,28-,29-,30?/m0/s1
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n/an/a 150n/an/an/an/an/an/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))
BDBM50002970
PNG
(4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propiony...)
Show SMILES CC(C)OC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N5O7/c1-22(2)45-30(41)19-29(40)26(16-23-12-8-6-9-13-23)37-32(43)28(18-25-20-35-21-36-25)38-31(42)27(17-24-14-10-7-11-15-24)39-33(44)46-34(3,4)5/h7,10-11,14-15,20-23,26-29,40H,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?/m0/s1
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n/an/a 175n/an/an/an/an/an/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))
BDBM50002966
PNG
(CHEMBL115430 | {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)NC(CC1CCCCC1)C(O)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C37H50N6O6/c1-37(2,3)49-36(48)43-30(20-26-15-9-5-10-16-26)34(46)42-31(21-28-23-38-24-39-28)35(47)41-29(19-25-13-7-4-8-14-25)32(44)22-33(45)40-27-17-11-6-12-18-27/h5-6,9-12,15-18,23-25,29-32,44H,4,7-8,13-14,19-22H2,1-3H3,(H,38,39)(H,40,45)(H,41,47)(H,42,46)(H,43,48)/t29?,30-,31-,32?/m0/s1
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n/an/a 190n/an/an/an/an/an/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))
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/an/an/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/an/an/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))
BDBM50002968
PNG
(CHEMBL117799 | {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)NC(CC1CCCCC1)C(O)CCCSc1ccccn1
Show InChI InChI=1S/C37H52N6O5S/c1-37(2,3)48-36(47)43-30(22-27-15-8-5-9-16-27)34(45)42-31(23-28-24-38-25-40-28)35(46)41-29(21-26-13-6-4-7-14-26)32(44)17-12-20-49-33-18-10-11-19-39-33/h5,8-11,15-16,18-19,24-26,29-32,44H,4,6-7,12-14,17,20-23H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)(H,43,47)/t29?,30-,31-,32?/m0/s1
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n/an/a 310n/an/an/an/an/an/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))
BDBM50002982
PNG
(CHEMBL333707 | {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)NC(CC1CCCCC1)C(O)CCOc1ccccn1
Show InChI InChI=1S/C36H50N6O6/c1-36(2,3)48-35(46)42-29(21-26-14-8-5-9-15-26)33(44)41-30(22-27-23-37-24-39-27)34(45)40-28(20-25-12-6-4-7-13-25)31(43)17-19-47-32-16-10-11-18-38-32/h5,8-11,14-16,18,23-25,28-31,43H,4,6-7,12-13,17,19-22H2,1-3H3,(H,37,39)(H,40,45)(H,41,44)(H,42,46)/t28?,29-,30-,31?/m0/s1
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n/an/a 750n/an/an/an/an/an/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))
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 770n/an/an/an/an/an/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)
BDBM50002990
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccccn1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-28(32(41)37-27(20-24-10-4-2-5-11-24)29(40)22-44-31-14-8-9-17-36-31)38-33(42)30(21-25-12-6-3-7-13-25)45-34(43)39-18-15-26(35)16-19-39/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,37,41)(H,38,42)/t27-,28-,29-,30-/m0/s1
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n/an/a 2.70E+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
Renin


(Homo sapiens (human))
BDBM50002984
PNG
(2-Benzyl-N-[1-[1-cyclohexylmethyl-2-hydroxy-4-(pyr...)
Show SMILES CC(C)(C)S(=O)(=O)C[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/C36H51N5O5S2/c1-36(2,3)48(45,46)24-28(20-26-12-6-4-7-13-26)34(43)41-31(22-29-23-37-25-39-29)35(44)40-30(21-27-14-8-5-9-15-27)32(42)17-19-47-33-16-10-11-18-38-33/h4,6-7,10-13,16,18,23,25,27-28,30-32,42H,5,8-9,14-15,17,19-22,24H2,1-3H3,(H,37,39)(H,40,44)(H,41,43)/t28-,30-,31-,32-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/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
3D
3D Structure (docked)
Pepsin A


(Porcine)
BDBM50002967
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1
Show InChI InChI=1S/C34H49N5O5S2/c1-45-22-28(32(41)37-27(20-24-10-4-2-5-11-24)29(40)23-46-31-14-8-9-17-36-31)38-33(42)30(21-25-12-6-3-7-13-25)44-34(43)39-18-15-26(35)16-19-39/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,37,41)(H,38,42)/t27-,28-,29-,30-/m0/s1
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n/an/a 4.00E+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
Renin


(Homo sapiens (human))
BDBM50002981
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(42)36-28(20-24-8-4-2-5-9-24)30(41)22-38-16-14-27(40)15-17-38)37-33(43)31(21-25-10-6-3-7-11-25)45-34(44)39-18-12-26(35)13-19-39/h3,6-7,10-11,14-17,24,26,28-31,41H,2,4-5,8-9,12-13,18-23,35H2,1H3,(H,36,42)(H,37,43)/t28-,29-,30-,31-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/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
Pepsin A


(Porcine)
BDBM50002985
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nccs1
Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 4.80E+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
Pepsin A


(Porcine)
BDBM50002979
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnnn1C
Show InChI InChI=1S/C32H50N8O5S2/c1-39-31(36-37-38-39)47-18-15-27(41)25(19-22-9-5-3-6-10-22)34-29(42)26(21-46-2)35-30(43)28(20-23-11-7-4-8-12-23)45-32(44)40-16-13-24(33)14-17-40/h4,7-8,11-12,22,24-28,41H,3,5-6,9-10,13-21,33H2,1-2H3,(H,34,42)(H,35,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 9.00E+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)
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
Pepsin A


(Porcine)
BDBM50002974
PNG
(4-Amino-piperidine-1-carboxylic acid 1-[1-[1-cyclo...)
Show SMILES 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/C37H51N7O5S/c38-28-14-18-44(19-15-28)37(48)49-33(22-27-11-5-2-6-12-27)36(47)43-31(23-29-24-39-25-41-29)35(46)42-30(21-26-9-3-1-4-10-26)32(45)16-20-50-34-13-7-8-17-40-34/h2,5-8,11-13,17,24-26,28,30-33,45H,1,3-4,9-10,14-16,18-23,38H2,(H,39,41)(H,42,46)(H,43,47)/t30-,31-,32-,33-/m0/s1
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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)
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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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)
BDBM50002990
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccccn1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-28(32(41)37-27(20-24-10-4-2-5-11-24)29(40)22-44-31-14-8-9-17-36-31)38-33(42)30(21-25-12-6-3-7-13-25)45-34(43)39-18-15-26(35)16-19-39/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,37,41)(H,38,42)/t27-,28-,29-,30-/m0/s1
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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)
BDBM50002973
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccncc1
Show InChI InChI=1S/C35H51N5O5S2/c1-46-24-30(39-34(43)32(23-26-10-6-3-7-11-26)45-35(44)40-19-14-27(36)15-20-40)33(42)38-29(22-25-8-4-2-5-9-25)31(41)16-21-47-28-12-17-37-18-13-28/h3,6-7,10-13,17-18,25,27,29-32,41H,2,4-5,8-9,14-16,19-24,36H2,1H3,(H,38,42)(H,39,43)/t29-,30-,31-,32-/m0/s1
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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)
BDBM50002989
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C35H51N5O5S2/c1-46-24-29(39-34(43)31(23-26-12-6-3-7-13-26)45-35(44)40-19-15-27(36)16-20-40)33(42)38-28(22-25-10-4-2-5-11-25)30(41)17-21-47-32-14-8-9-18-37-32/h3,6-9,12-14,18,25,27-31,41H,2,4-5,10-11,15-17,19-24,36H2,1H3,(H,38,42)(H,39,43)/t28-,29?,30-,31-/m0/s1
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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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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)
BDBM50002987
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncccn1
Show InChI InChI=1S/C34H50N6O5S2/c1-46-23-28(39-32(43)30(22-25-11-6-3-7-12-25)45-34(44)40-18-13-26(35)14-19-40)31(42)38-27(21-24-9-4-2-5-10-24)29(41)15-20-47-33-36-16-8-17-37-33/h3,6-8,11-12,16-17,24,26-30,41H,2,4-5,9-10,13-15,18-23,35H2,1H3,(H,38,42)(H,39,43)/t27-,28-,29-,30-/m0/s1
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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)
BDBM50002987
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncccn1
Show InChI InChI=1S/C34H50N6O5S2/c1-46-23-28(39-32(43)30(22-25-11-6-3-7-12-25)45-34(44)40-18-13-26(35)14-19-40)31(42)38-27(21-24-9-4-2-5-10-24)29(41)15-20-47-33-36-16-8-17-37-33/h3,6-8,11-12,16-17,24,26-30,41H,2,4-5,9-10,13-15,18-23,35H2,1H3,(H,38,42)(H,39,43)/t27-,28-,29-,30-/m0/s1
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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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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)
BDBM50002981
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(42)36-28(20-24-8-4-2-5-9-24)30(41)22-38-16-14-27(40)15-17-38)37-33(43)31(21-25-10-6-3-7-11-25)45-34(44)39-18-12-26(35)13-19-39/h3,6-7,10-11,14-17,24,26,28-31,41H,2,4-5,8-9,12-13,18-23,35H2,1H3,(H,36,42)(H,37,43)/t28-,29-,30-,31-/m0/s1
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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)
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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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)
BDBM50002972
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccccc1=O
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-28(32(42)36-27(20-24-10-4-2-5-11-24)29(40)22-39-17-9-8-14-31(39)41)37-33(43)30(21-25-12-6-3-7-13-25)45-34(44)38-18-15-26(35)16-19-38/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1
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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)
BDBM50002967
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1
Show InChI InChI=1S/C34H49N5O5S2/c1-45-22-28(32(41)37-27(20-24-10-4-2-5-11-24)29(40)23-46-31-14-8-9-17-36-31)38-33(42)30(21-25-12-6-3-7-13-25)44-34(43)39-18-15-26(35)16-19-39/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,37,41)(H,38,42)/t27-,28-,29-,30-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002985
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nccs1
Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002989
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C35H51N5O5S2/c1-46-24-29(39-34(43)31(23-26-12-6-3-7-13-26)45-35(44)40-19-15-27(36)16-20-40)33(42)38-28(22-25-10-4-2-5-11-25)30(41)17-21-47-32-14-8-9-18-37-32/h3,6-9,12-14,18,25,27-31,41H,2,4-5,10-11,15-17,19-24,36H2,1H3,(H,38,42)(H,39,43)/t28-,29?,30-,31-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002972
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccccc1=O
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-28(32(42)36-27(20-24-10-4-2-5-11-24)29(40)22-39-17-9-8-14-31(39)41)37-33(43)30(21-25-12-6-3-7-13-25)45-34(44)38-18-15-26(35)16-19-38/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1
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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)
BDBM50002976
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccncc1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(41)37-28(20-24-8-4-2-5-9-24)30(40)22-44-27-12-16-36-17-13-27)38-33(42)31(21-25-10-6-3-7-11-25)45-34(43)39-18-14-26(35)15-19-39/h3,6-7,10-13,16-17,24,26,28-31,40H,2,4-5,8-9,14-15,18-23,35H2,1H3,(H,37,41)(H,38,42)/t28-,29-,30-,31-/m0/s1
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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)
BDBM50002977
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnc(C)s1
Show InChI InChI=1S/C33H50N6O5S3/c1-22-37-38-32(47-22)46-18-15-28(40)26(19-23-9-5-3-6-10-23)35-30(41)27(21-45-2)36-31(42)29(20-24-11-7-4-8-12-24)44-33(43)39-16-13-25(34)14-17-39/h4,7-8,11-12,23,25-29,40H,3,5-6,9-10,13-21,34H2,1-2H3,(H,35,41)(H,36,42)/t26-,27-,28-,29-/m0/s1
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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)
BDBM50002979
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnnn1C
Show InChI InChI=1S/C32H50N8O5S2/c1-39-31(36-37-38-39)47-18-15-27(41)25(19-22-9-5-3-6-10-22)34-29(42)26(21-46-2)35-30(43)28(20-23-11-7-4-8-12-23)45-32(44)40-16-13-24(33)14-17-40/h4,7-8,11-12,22,24-28,41H,3,5-6,9-10,13-21,33H2,1-2H3,(H,34,42)(H,35,43)/t25-,26-,27-,28-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002992
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc[nH]1
Show InChI InChI=1S/C31H47N7O5S2/c1-44-18-25(28(40)35-24(16-21-8-4-2-5-9-21)26(39)19-45-30-33-20-34-37-30)36-29(41)27(17-22-10-6-3-7-11-22)43-31(42)38-14-12-23(32)13-15-38/h3,6-7,10-11,20-21,23-27,39H,2,4-5,8-9,12-19,32H2,1H3,(H,35,40)(H,36,41)(H,33,34,37)/t24-,25-,26-,27-/m0/s1
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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)
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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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)
BDBM50002981
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(42)36-28(20-24-8-4-2-5-9-24)30(41)22-38-16-14-27(40)15-17-38)37-33(43)31(21-25-10-6-3-7-11-25)45-34(44)39-18-12-26(35)13-19-39/h3,6-7,10-11,14-17,24,26,28-31,41H,2,4-5,8-9,12-13,18-23,35H2,1H3,(H,36,42)(H,37,43)/t28-,29-,30-,31-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002976
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccncc1
Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(41)37-28(20-24-8-4-2-5-9-24)30(40)22-44-27-12-16-36-17-13-27)38-33(42)31(21-25-10-6-3-7-11-25)45-34(43)39-18-14-26(35)15-19-39/h3,6-7,10-13,16-17,24,26,28-31,40H,2,4-5,8-9,14-15,18-23,35H2,1H3,(H,37,41)(H,38,42)/t28-,29-,30-,31-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002973
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccncc1
Show InChI InChI=1S/C35H51N5O5S2/c1-46-24-30(39-34(43)32(23-26-10-6-3-7-11-26)45-35(44)40-19-14-27(36)15-20-40)33(42)38-29(22-25-8-4-2-5-9-25)31(41)16-21-47-28-12-17-37-18-13-28/h3,6-7,10-13,17-18,25,27,29-32,41H,2,4-5,8-9,14-16,19-24,36H2,1H3,(H,38,42)(H,39,43)/t29-,30-,31-,32-/m0/s1
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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)
BDBM50002969
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C
Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
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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)
BDBM50002974
PNG
(4-Amino-piperidine-1-carboxylic acid 1-[1-[1-cyclo...)
Show SMILES 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/C37H51N7O5S/c38-28-14-18-44(19-15-28)37(48)49-33(22-27-11-5-2-6-12-27)36(47)43-31(23-29-24-39-25-41-29)35(46)42-30(21-26-9-3-1-4-10-26)32(45)16-20-50-34-13-7-8-17-40-34/h2,5-8,11-13,17,24-26,28,30-33,45H,1,3-4,9-10,14-16,18-23,38H2,(H,39,41)(H,42,46)(H,43,47)/t30-,31-,32-,33-/m0/s1
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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)
BDBM50002992
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc[nH]1
Show InChI InChI=1S/C31H47N7O5S2/c1-44-18-25(28(40)35-24(16-21-8-4-2-5-9-21)26(39)19-45-30-33-20-34-37-30)36-29(41)27(17-22-10-6-3-7-11-22)43-31(42)38-14-12-23(32)13-15-38/h3,6-7,10-11,20-21,23-27,39H,2,4-5,8-9,12-19,32H2,1H3,(H,35,40)(H,36,41)(H,33,34,37)/t24-,25-,26-,27-/m0/s1
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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)
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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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
Cathepsin D


(Bos taurus)
BDBM50002969
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C
Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
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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
Cathepsin D


(Bos taurus)
BDBM50002977
PNG
(4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnc(C)s1
Show InChI InChI=1S/C33H50N6O5S3/c1-22-37-38-32(47-22)46-18-15-28(40)26(19-23-9-5-3-6-10-23)35-30(41)27(21-45-2)36-31(42)29(20-24-11-7-4-8-12-24)44-33(43)39-16-13-25(34)14-17-39/h4,7-8,11-12,23,25-29,40H,3,5-6,9-10,13-21,34H2,1-2H3,(H,35,41)(H,36,42)/t26-,27-,28-,29-/m0/s1
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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
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
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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)
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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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
* indicates data uncertainty>20%