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21 similar compounds to monomer 50393889

Compile data set for download or QSAR
Wt: 422.5
BDBM50392774
Wt: 464.6
BDBM50392775
Wt: 502.5
BDBM50438336
Wt: 496.5
BDBM50438339
Wt: 468.4
BDBM50438347
Wt: 464.5
BDBM50438349
Wt: 471.5
BDBM50438352
Wt: 488.6
BDBM50438355
Wt: 496.5
BDBM50438356
Wt: 460.5
BDBM50438357
Wt: 499.5
BDBM50438358
Wt: 486.5
BDBM50438360
Wt: 518.6
BDBM50438361
Wt: 516.6
BDBM50438362
Wt: 516.6
BDBM50438363
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50392774,50392775,50438336,50438339,50438347,50438349,50438352,50438355,50438356,50438357,50438358,50438360,50438361,50438362,50438363   
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


(Homo sapiens (Human))
BDBM50438336
PNG
(CHEMBL2408754)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(COC2)Oc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H36F2N2O4/c1-17(33)32-23(10-19-7-20(29)11-21(30)8-19)25(34)14-31-24-13-28(15-35-16-28)36-26-6-5-18(9-22(24)26)12-27(2,3)4/h5-9,11,23-25,31,34H,10,12-16H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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n/an/a 2.25E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392774
PNG
(CHEMBL2151149)
Show SMILES CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1
Show InChI InChI=1S/C26H34N2O3/c1-3-19-10-11-25-21(14-19)23(16-26(31-25)12-7-13-26)27-17-24(30)22(28-18(2)29)15-20-8-5-4-6-9-20/h4-6,8-11,14,22-24,27,30H,3,7,12-13,15-17H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by cells based assay


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438347
PNG
(CHEMBL2408743)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(F)F)cc12
Show InChI InChI=1S/C24H28F4N2O3/c1-14(31)30-21(10-16-7-17(25)11-18(26)8-16)22(32)13-29-20-5-6-33-23-4-3-15(9-19(20)23)12-24(2,27)28/h3-4,7-9,11,20-22,29,32H,5-6,10,12-13H2,1-2H3,(H,30,31)/t20-,21-,22+/m0/s1
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n/an/a 144n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438349
PNG
(CHEMBL2408742)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)F)cc12
Show InChI InChI=1S/C25H31F3N2O3/c1-15(31)30-22(11-17-8-18(26)12-19(27)9-17)23(32)14-29-21-6-7-33-24-5-4-16(10-20(21)24)13-25(2,3)28/h4-5,8-10,12,21-23,29,32H,6-7,11,13-14H2,1-3H3,(H,30,31)/t21-,22-,23+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438352
PNG
(CHEMBL2408744)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C#N)cc12
Show InChI InChI=1S/C26H31F2N3O3/c1-16(32)31-23(11-18-8-19(27)12-20(28)9-18)24(33)14-30-22-6-7-34-25-5-4-17(10-21(22)25)13-26(2,3)15-29/h4-5,8-10,12,22-24,30,33H,6-7,11,13-14H2,1-3H3,(H,31,32)/t22-,23-,24+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438355
PNG
(CHEMBL2408750)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(5,6)35-26-8-7-18(11-22(24)26)14-27(2,3)4/h7-11,13,23-25,31,34H,12,14-16H2,1-6H3,(H,32,33)/t23-,24-,25+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438356
PNG
(CHEMBL2408756)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(F)F)cc12
Show InChI InChI=1S/C26H32F4N2O3/c1-15(33)32-21(10-17-7-18(27)11-19(28)8-17)23(34)14-31-22-13-25(2,3)35-24-6-5-16(9-20(22)24)12-26(4,29)30/h5-9,11,21-23,31,34H,10,12-14H2,1-4H3,(H,32,33)/t21-,22-,23+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438357
PNG
(CHEMBL2408737)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C26H34F2N2O3/c1-16(31)30-23(12-18-9-19(27)13-20(28)10-18)24(32)15-29-22-7-8-33-25-6-5-17(11-21(22)25)14-26(2,3)4/h5-6,9-11,13,22-24,29,32H,7-8,12,14-15H2,1-4H3,(H,30,31)/t22-,23-,24+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438358
PNG
(CHEMBL2408757)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C#N)cc12
Show InChI InChI=1S/C28H35F2N3O3/c1-17(34)33-23(11-19-8-20(29)12-21(30)9-19)25(35)15-32-24-14-28(4,5)36-26-7-6-18(10-22(24)26)13-27(2,3)16-31/h6-10,12,23-25,32,35H,11,13-15H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438360
PNG
(CHEMBL2408755)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CC2)Oc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H36F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(7-8-28)35-26-6-5-18(11-22(24)26)14-27(2,3)4/h5-6,9-11,13,23-25,31,34H,7-8,12,14-16H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438361
PNG
(CHEMBL2408753)
Show SMILES COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1S/C29H40F2N2O4/c1-18(34)33-24(12-20-9-21(30)13-22(31)10-20)26(35)16-32-25-15-29(5,17-36-6)37-27-8-7-19(11-23(25)27)14-28(2,3)4/h7-11,13,24-26,32,35H,12,14-17H2,1-6H3,(H,33,34)/t24-,25-,26+,29+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438362
PNG
(CHEMBL2408752)
Show SMILES CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438363
PNG
(CHEMBL2408751)
Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50392774
PNG
(CHEMBL2151149)
Show SMILES CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1
Show InChI InChI=1S/C26H34N2O3/c1-3-19-10-11-25-21(14-19)23(16-26(31-25)12-7-13-26)27-17-24(30)22(28-18(2)29)15-20-8-5-4-6-9-20/h4-6,8-11,14,22-24,27,30H,3,7,12-13,15-17H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.028
BindingDB Entry DOI: 10.7270/Q2FQ9Z1B
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392774
PNG
(CHEMBL2151149)
Show SMILES CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1
Show InChI InChI=1S/C26H34N2O3/c1-3-19-10-11-25-21(14-19)23(16-26(31-25)12-7-13-26)27-17-24(30)22(28-18(2)29)15-20-8-5-4-6-9-20/h4-6,8-11,14,22-24,27,30H,3,7,12-13,15-17H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392775
PNG
(CHEMBL2151150)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40N2O3/c1-20(32)31-24(16-21-9-6-5-7-10-21)26(33)19-30-25-18-29(13-8-14-29)34-27-12-11-22(15-23(25)27)17-28(2,3)4/h5-7,9-12,15,24-26,30,33H,8,13-14,16-19H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392775
PNG
(CHEMBL2151150)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40N2O3/c1-20(32)31-24(16-21-9-6-5-7-10-21)26(33)19-30-25-18-29(13-8-14-29)34-27-12-11-22(15-23(25)27)17-28(2,3)4/h5-7,9-12,15,24-26,30,33H,8,13-14,16-19H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by cells based assay


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438339
PNG
(CHEMBL2408745)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C(F)F)cc12
Show InChI InChI=1S/C26H32F4N2O3/c1-15(33)32-22(11-17-8-18(27)12-19(28)9-17)23(34)14-31-21-6-7-35-24-5-4-16(10-20(21)24)13-26(2,3)25(29)30/h4-5,8-10,12,21-23,25,31,34H,6-7,11,13-14H2,1-3H3,(H,32,33)/t21-,22-,23+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair