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6 similar compounds to monomer 50006858

Compile data set for download or QSAR
Wt: 760.9
BDBM50005420
Wt: 676.8
BDBM50005445
Wt: 796.9
BDBM50008126
Wt: 760.9
BDBM50009884
Wt: 777.9
BDBM50012251
Wt: 662.8
BDBM50045286

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50005420,50005445,50008126,50009884,50012251,50045286   
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 E


(Homo sapiens (Human))
BDBM50045286
PNG
(CHEMBL314858 | CHEMBL3348525 | N-[1-(1-Cyclohexylm...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S/c1-2-26(39)20-30(40)27(17-23-9-5-3-6-10-23)35-31(41)28(19-25-21-33-22-34-25)36-32(42)29(18-24-11-7-4-8-12-24)37-46(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-23,26-30,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H,33,34)(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1
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850n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045286
PNG
(CHEMBL314858 | CHEMBL3348525 | N-[1-(1-Cyclohexylm...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S/c1-2-26(39)20-30(40)27(17-23-9-5-3-6-10-23)35-31(41)28(19-25-21-33-22-34-25)36-32(42)29(18-24-11-7-4-8-12-24)37-46(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-23,26-30,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H,33,34)(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045286
PNG
(CHEMBL314858 | CHEMBL3348525 | N-[1-(1-Cyclohexylm...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S/c1-2-26(39)20-30(40)27(17-23-9-5-3-6-10-23)35-31(41)28(19-25-21-33-22-34-25)36-32(42)29(18-24-11-7-4-8-12-24)37-46(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-23,26-30,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H,33,34)(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045286
PNG
(CHEMBL314858 | CHEMBL3348525 | N-[1-(1-Cyclohexylm...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S/c1-2-26(39)20-30(40)27(17-23-9-5-3-6-10-23)35-31(41)28(19-25-21-33-22-34-25)36-32(42)29(18-24-11-7-4-8-12-24)37-46(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-23,26-30,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H,33,34)(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009884
PNG
(CHEMBL279921 | N-[1-{4-[2-(2-Amino-ethyl)-morpholi...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c37-12-11-29-24-43(13-18-52-29)34(46)22-33(45)30(19-26-7-3-1-4-8-26)40-35(47)31(21-28-23-38-25-39-28)41-36(48)32(20-27-9-5-2-6-10-27)42-53(49,50)44-14-16-51-17-15-44/h2,5-6,9-10,23,25-26,29-33,42,45H,1,3-4,7-8,11-22,24,37H2,(H,38,39)(H,40,47)(H,41,48)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009884
PNG
(CHEMBL279921 | N-[1-{4-[2-(2-Amino-ethyl)-morpholi...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c37-12-11-29-24-43(13-18-52-29)34(46)22-33(45)30(19-26-7-3-1-4-8-26)40-35(47)31(21-28-23-38-25-39-28)41-36(48)32(20-27-9-5-2-6-10-27)42-53(49,50)44-14-16-51-17-15-44/h2,5-6,9-10,23,25-26,29-33,42,45H,1,3-4,7-8,11-22,24,37H2,(H,38,39)(H,40,47)(H,41,48)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045286
PNG
(CHEMBL314858 | CHEMBL3348525 | N-[1-(1-Cyclohexylm...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S/c1-2-26(39)20-30(40)27(17-23-9-5-3-6-10-23)35-31(41)28(19-25-21-33-22-34-25)36-32(42)29(18-24-11-7-4-8-12-24)37-46(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-23,26-30,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H,33,34)(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50012251
PNG
(2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C36H55N7O10S/c1-23(2)17-30(44)32(45)27(18-24-9-5-3-6-10-24)39-34(47)31(35(48)40-29(36(49)50)20-26-21-37-22-38-26)41-33(46)28(19-25-11-7-4-8-12-25)42-54(51,52)43-13-15-53-16-14-43/h4,7-8,11-12,21-24,27-32,42,44-45H,3,5-6,9-10,13-20H2,1-2H3,(H,37,38)(H,39,47)(H,40,48)(H,41,46)(H,49,50)/t27-,28-,29?,30+,31?,32+/m0/s1
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n/an/a 5.18E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration on Bovine Cathepsin D


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012251
PNG
(2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C36H55N7O10S/c1-23(2)17-30(44)32(45)27(18-24-9-5-3-6-10-24)39-34(47)31(35(48)40-29(36(49)50)20-26-21-37-22-38-26)41-33(46)28(19-25-11-7-4-8-12-25)42-54(51,52)43-13-15-53-16-14-43/h4,7-8,11-12,21-24,27-32,42,44-45H,3,5-6,9-10,13-20H2,1-2H3,(H,37,38)(H,39,47)(H,40,48)(H,41,46)(H,49,50)/t27-,28-,29?,30+,31?,32+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50008126
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{3-(1H-imida...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H54F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-32,44,47H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-,32?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50005420
PNG
(5-Cyclohexyl-3-hydroxy-4-{3-(1H-imidazol-4-yl)-2-[...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c45-33(24-34(46)38-11-12-43-13-17-51-18-14-43)30(21-27-7-3-1-4-8-27)40-35(47)31(23-29-25-37-26-39-29)41-36(48)32(22-28-9-5-2-6-10-28)42-53(49,50)44-15-19-52-20-16-44/h2,5-6,9-10,25-27,30-33,42,45H,1,3-4,7-8,11-24H2,(H,37,39)(H,38,46)(H,40,47)(H,41,48)/t30-,31?,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50005445
PNG
(CHEMBL267277 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S/c1-23(2)17-30(40)31(41)27(18-24-9-5-3-6-10-24)36-32(42)28(20-26-21-34-22-35-26)37-33(43)29(19-25-11-7-4-8-12-25)38-47(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-24,27-31,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,34,35)(H,36,42)(H,37,43)/t27-,28?,29-,30-,31+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008126
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{3-(1H-imida...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H54F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-32,44,47H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-,32?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005420
PNG
(5-Cyclohexyl-3-hydroxy-4-{3-(1H-imidazol-4-yl)-2-[...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c45-33(24-34(46)38-11-12-43-13-17-51-18-14-43)30(21-27-7-3-1-4-8-27)40-35(47)31(23-29-25-37-26-39-29)41-36(48)32(22-28-9-5-2-6-10-28)42-53(49,50)44-15-19-52-20-16-44/h2,5-6,9-10,25-27,30-33,42,45H,1,3-4,7-8,11-24H2,(H,37,39)(H,38,46)(H,40,47)(H,41,48)/t30-,31?,32-,33-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005445
PNG
(CHEMBL267277 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S/c1-23(2)17-30(40)31(41)27(18-24-9-5-3-6-10-24)36-32(42)28(20-26-21-34-22-35-26)37-33(43)29(19-25-11-7-4-8-12-25)38-47(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-24,27-31,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,34,35)(H,36,42)(H,37,43)/t27-,28?,29-,30-,31+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair