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5 similar compounds to monomer 50002987

Compile data set for download or QSAR
Wt: 690.9
BDBM50002979
Wt: 685.9
BDBM50002989
Wt: 661.8
BDBM50002992
Wt: 691.9
BDBM50002985
Wt: 685.9
BDBM50002973

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50002979,50002989,50002992,50002985,50002973   
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)
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>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)
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)
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)
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>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))
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/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)
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>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)
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>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))
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 16n/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)
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>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))
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/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))
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/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)
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>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))
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/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)
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)
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>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