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PubMed code 8410992

Compile data set for download or QSAR
Found 35 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))
BDBM50045686
PNG
(4-(4-Amino-piperidin-1-yl)-N-[1-(1-cyclohexylmethy...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C43H57N7O5/c44-33-18-21-50(22-19-33)40(52)25-32(24-31-13-8-12-30-11-4-5-15-36(30)31)42(54)49-38(26-35-27-45-28-47-35)43(55)48-37(23-29-9-2-1-3-10-29)41(53)39(51)17-16-34-14-6-7-20-46-34/h4-8,11-15,20,27-29,32-33,37-39,41,51,53H,1-3,9-10,16-19,21-26,44H2,(H,45,47)(H,48,55)(H,49,54)/t32-,37+,38+,39+,41-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045691
PNG
(CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...)
Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C42H60N8O8/c1-48(41(55)50-21-23-57-24-22-50)19-20-49(2)42(56)58-37(26-31-13-7-4-8-14-31)40(54)47-35(27-33-28-43-29-45-33)39(53)46-34(25-30-11-5-3-6-12-30)38(52)36(51)17-16-32-15-9-10-18-44-32/h4,7-10,13-15,18,28-30,34-38,51-52H,3,5-6,11-12,16-17,19-27H2,1-2H3,(H,43,45)(H,46,53)(H,47,54)/t34-,35-,36-,37-,38+/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045691
PNG
(CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...)
Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C42H60N8O8/c1-48(41(55)50-21-23-57-24-22-50)19-20-49(2)42(56)58-37(26-31-13-7-4-8-14-31)40(54)47-35(27-33-28-43-29-45-33)39(53)46-34(25-30-11-5-3-6-12-30)38(52)36(51)17-16-32-15-9-10-18-44-32/h4,7-10,13-15,18,28-30,34-38,51-52H,3,5-6,11-12,16-17,19-27H2,1-2H3,(H,43,45)(H,46,53)(H,47,54)/t34-,35-,36-,37-,38+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045687
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
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)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C37H53N5O6S/c1-37(2,3)49(47,48)24-28(20-26-12-6-4-7-13-26)35(45)42-32(22-30-23-38-25-40-30)36(46)41-31(21-27-14-8-5-9-15-27)34(44)33(43)18-17-29-16-10-11-19-39-29/h4,6-7,10-13,16,19,23,25,27-28,31-34,43-44H,5,8-9,14-15,17-18,20-22,24H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)/t28-,31+,32+,33+,34-/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045685
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045685
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045692
PNG
(3-(4-Amino-cyclohexanesulfonyl)-2-benzyl-N-[1-(1-c...)
Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H56N6O6S/c40-30-14-17-33(18-15-30)52(50,51)25-29(21-27-9-3-1-4-10-27)38(48)45-35(23-32-24-41-26-43-32)39(49)44-34(22-28-11-5-2-6-12-28)37(47)36(46)19-16-31-13-7-8-20-42-31/h1,3-4,7-10,13,20,24,26,28-30,33-37,46-47H,2,5-6,11-12,14-19,21-23,25,40H2,(H,41,43)(H,44,49)(H,45,48)/t29-,30-,33+,34+,35+,36+,37-/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50045692
PNG
(3-(4-Amino-cyclohexanesulfonyl)-2-benzyl-N-[1-(1-c...)
Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H56N6O6S/c40-30-14-17-33(18-15-30)52(50,51)25-29(21-27-9-3-1-4-10-27)38(48)45-35(23-32-24-41-26-43-32)39(49)44-34(22-28-11-5-2-6-12-28)37(47)36(46)19-16-31-13-7-8-20-42-31/h1,3-4,7-10,13,20,24,26,28-30,33-37,46-47H,2,5-6,11-12,14-19,21-23,25,40H2,(H,41,43)(H,44,49)(H,45,48)/t29-,30-,33+,34+,35+,36+,37-/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50045693
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)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045687
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
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)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C37H53N5O6S/c1-37(2,3)49(47,48)24-28(20-26-12-6-4-7-13-26)35(45)42-32(22-30-23-38-25-40-30)36(46)41-31(21-27-14-8-5-9-15-27)34(44)33(43)18-17-29-16-10-11-19-39-29/h4,6-7,10-13,16,19,23,25,27-28,31-34,43-44H,5,8-9,14-15,17-18,20-22,24H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)/t28-,31+,32+,33+,34-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50045681
PNG
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-29-16-14-28(15-17-29)37(49)45-33(22-27-11-5-2-6-12-27)38(50)46-34(23-31-24-41-25-43-31)39(51)44-32(21-26-9-3-1-4-10-26)36(48)35(47)19-18-30-13-7-8-20-42-30/h2,5-8,11-13,20,24-26,28-29,32-36,47-48H,1,3-4,9-10,14-19,21-23,40H2,(H,41,43)(H,44,51)(H,45,49)(H,46,50)/t28-,29+,32-,33-,34-,35-,36+/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045681
PNG
(4-Amino-cyclohexanecarboxylic acid {1-[1-(1-cycloh...)
Show SMILES N[C@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-29-16-14-28(15-17-29)37(49)45-33(22-27-11-5-2-6-12-27)38(50)46-34(23-31-24-41-25-43-31)39(51)44-32(21-26-9-3-1-4-10-26)36(48)35(47)19-18-30-13-7-8-20-42-30/h2,5-8,11-13,20,24-26,28-29,32-36,47-48H,1,3-4,9-10,14-19,21-23,40H2,(H,41,43)(H,44,51)(H,45,49)(H,46,50)/t28-,29+,32-,33-,34-,35-,36+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045693
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)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045684
PNG
(3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1...)
Show SMILES NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C38H55N7O6S/c39-30-16-19-45(20-17-30)52(50,51)25-29(21-27-9-3-1-4-10-27)37(48)44-34(23-32-24-40-26-42-32)38(49)43-33(22-28-11-5-2-6-12-28)36(47)35(46)15-14-31-13-7-8-18-41-31/h1,3-4,7-10,13,18,24,26,28-30,33-36,46-47H,2,5-6,11-12,14-17,19-23,25,39H2,(H,40,42)(H,43,49)(H,44,48)/t29-,33+,34+,35+,36-/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045682
PNG
(2-[4-(4-Amino-piperidin-1-yl)-2-benzyl-4-oxo-butyr...)
Show SMILES CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C38H57N5O5/c1-2-11-32(41-37(47)29(24-27-12-5-3-6-13-27)26-35(45)43-22-19-30(39)20-23-43)38(48)42-33(25-28-14-7-4-8-15-28)36(46)34(44)18-17-31-16-9-10-21-40-31/h3,5-6,9-10,12-13,16,21,28-30,32-34,36,44,46H,2,4,7-8,11,14-15,17-20,22-26,39H2,1H3,(H,41,47)(H,42,48)/t29-,32+,33+,34+,36-/m1/s1
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n/an/a 0.680n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045688
PNG
(5-{1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-pyridi...)
Show SMILES CCOC(=O)CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C40H56N6O7/c1-2-53-37(49)19-10-9-18-36(48)44-33(24-29-15-7-4-8-16-29)39(51)46-34(25-31-26-41-27-43-31)40(52)45-32(23-28-13-5-3-6-14-28)38(50)35(47)21-20-30-17-11-12-22-42-30/h4,7-8,11-12,15-17,22,26-28,32-35,38,47,50H,2-3,5-6,9-10,13-14,18-21,23-25H2,1H3,(H,41,43)(H,44,48)(H,45,52)(H,46,51)/t32-,33-,34-,35-,38+/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045684
PNG
(3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1...)
Show SMILES NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C38H55N7O6S/c39-30-16-19-45(20-17-30)52(50,51)25-29(21-27-9-3-1-4-10-27)37(48)44-34(23-32-24-40-26-42-32)38(49)43-33(22-28-11-5-2-6-12-28)36(47)35(46)15-14-31-13-7-8-18-41-31/h1,3-4,7-10,13,18,24,26,28-30,33-36,46-47H,2,5-6,11-12,14-17,19-23,25,39H2,(H,40,42)(H,43,49)(H,44,48)/t29-,33+,34+,35+,36-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045688
PNG
(5-{1-[1-(1-Cyclohexylmethyl-2,3-dihydroxy-5-pyridi...)
Show SMILES CCOC(=O)CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C40H56N6O7/c1-2-53-37(49)19-10-9-18-36(48)44-33(24-29-15-7-4-8-16-29)39(51)46-34(25-31-26-41-27-43-31)40(52)45-32(23-28-13-5-3-6-14-28)38(50)35(47)21-20-30-17-11-12-22-42-30/h4,7-8,11-12,15-17,22,26-28,32-35,38,47,50H,2-3,5-6,9-10,13-14,18-21,23-25H2,1H3,(H,41,43)(H,44,48)(H,45,52)(H,46,51)/t32-,33-,34-,35-,38+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against rhesus monkey plasma renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045686
PNG
(4-(4-Amino-piperidin-1-yl)-N-[1-(1-cyclohexylmethy...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C43H57N7O5/c44-33-18-21-50(22-19-33)40(52)25-32(24-31-13-8-12-30-11-4-5-15-36(30)31)42(54)49-38(26-35-27-45-28-47-35)43(55)48-37(23-29-9-2-1-3-10-29)41(53)39(51)17-16-34-14-6-7-20-46-34/h4-8,11-15,20,27-29,32-33,37-39,41,51,53H,1-3,9-10,16-19,21-26,44H2,(H,45,47)(H,48,55)(H,49,54)/t32-,37+,38+,39+,41-/m1/s1
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n/an/a 0.790n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045690
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C38H52N6O6/c45-34(15-14-30-13-7-8-16-40-30)36(47)32(22-28-11-5-2-6-12-28)42-38(49)33(24-31-25-39-26-41-31)43-37(48)29(21-27-9-3-1-4-10-27)23-35(46)44-17-19-50-20-18-44/h1,3-4,7-10,13,16,25-26,28-29,32-34,36,45,47H,2,5-6,11-12,14-15,17-24H2,(H,39,41)(H,42,49)(H,43,48)/t29-,32+,33+,34+,36-/m1/s1
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Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045690
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C38H52N6O6/c45-34(15-14-30-13-7-8-16-40-30)36(47)32(22-28-11-5-2-6-12-28)42-38(49)33(24-31-25-39-26-41-31)43-37(48)29(21-27-9-3-1-4-10-27)23-35(46)44-17-19-50-20-18-44/h1,3-4,7-10,13,16,25-26,28-29,32-34,36,45,47H,2,5-6,11-12,14-15,17-24H2,(H,39,41)(H,42,49)(H,43,48)/t29-,32+,33+,34+,36-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against guinea pig plasma renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045682
PNG
(2-[4-(4-Amino-piperidin-1-yl)-2-benzyl-4-oxo-butyr...)
Show SMILES CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C38H57N5O5/c1-2-11-32(41-37(47)29(24-27-12-5-3-6-13-27)26-35(45)43-22-19-30(39)20-23-43)38(48)42-33(25-28-14-7-4-8-15-28)36(46)34(44)18-17-31-16-9-10-21-40-31/h3,5-6,9-10,12-13,16,21,28-30,32-34,36,44,46H,2,4,7-8,11,14-15,17-20,22-26,39H2,1H3,(H,41,47)(H,42,48)/t29-,32+,33+,34+,36-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against sheep plasma renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045689
PNG
(4-Amino-cyclohexanecarboxylic acid [1-[1-(1-cycloh...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H]2CC[C@H](N)CC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)cc1
Show InChI InChI=1S/C40H57N7O6/c1-53-32-17-10-27(11-18-32)22-34(46-38(50)28-12-14-29(41)15-13-28)39(51)47-35(23-31-24-42-25-44-31)40(52)45-33(21-26-7-3-2-4-8-26)37(49)36(48)19-16-30-9-5-6-20-43-30/h5-6,9-11,17-18,20,24-26,28-29,33-37,48-49H,2-4,7-8,12-16,19,21-23,41H2,1H3,(H,42,44)(H,45,52)(H,46,50)(H,47,51)/t28-,29+,33-,34-,35-,36-,37+/m0/s1
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Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045689
PNG
(4-Amino-cyclohexanecarboxylic acid [1-[1-(1-cycloh...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H]2CC[C@H](N)CC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)cc1
Show InChI InChI=1S/C40H57N7O6/c1-53-32-17-10-27(11-18-32)22-34(46-38(50)28-12-14-29(41)15-13-28)39(51)47-35(23-31-24-42-25-44-31)40(52)45-33(21-26-7-3-2-4-8-26)37(49)36(48)19-16-30-9-5-6-20-43-30/h5-6,9-11,17-18,20,24-26,28-29,33-37,48-49H,2-4,7-8,12-16,19,21-23,41H2,1H3,(H,42,44)(H,45,52)(H,46,50)(H,47,51)/t28-,29+,33-,34-,35-,36-,37+/m0/s1
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Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human kidney renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of renin in human plasma


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against dog plasma renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against rat plasma renin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against human gastricsin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against human pepsin


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against human cathepsin E


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against human cathepsin D


J Med Chem 36: 2788-800 (1993)


Article DOI: 10.1021/jm00071a009
BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%