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PubMed code 23856050

Compile data set for download or QSAR
Found 28 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
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))
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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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))
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))
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))
BDBM50438359
PNG
(CHEMBL2408760)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C27H36F2N2O2/c1-17(32)31-25(13-19-10-21(28)14-22(29)11-19)26(33)16-30-24-7-5-6-20-9-8-18(12-23(20)24)15-27(2,3)4/h8-12,14,24-26,30,33H,5-7,13,15-16H2,1-4H3,(H,31,32)/t24-,25-,26+/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
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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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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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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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))
BDBM50438354
PNG
(CHEMBL2408758)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C24H27F5N2O4/c1-13(32)31-19(8-14-6-15(25)9-16(26)7-14)21(33)12-30-20-11-23(2,3)35-22-5-4-17(10-18(20)22)34-24(27,28)29/h4-7,9-10,19-21,30,33H,8,11-12H2,1-3H3,(H,31,32)/t19-,20-,21+/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
Cathepsin D


(Homo sapiens (human))
BDBM50438353
PNG
(CHEMBL2408736)
Show SMILES CN1CC[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc12
Show InChI InChI=1S/C27H37F2N3O2/c1-17(33)31-24(13-19-10-20(28)14-21(29)11-19)26(34)16-30-23-8-9-32(5)25-7-6-18(12-22(23)25)15-27(2,3)4/h6-7,10-12,14,23-24,26,30,34H,8-9,13,15-16H2,1-5H3,(H,31,33)/t23-,24-,26+/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
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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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))
BDBM50438351
PNG
(CHEMBL2408765)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C26H34F2N2O2/c1-16(31)30-24(12-17-10-20(27)14-21(28)11-17)25(32)15-29-23-7-5-6-18-8-9-19(13-22(18)23)26(2,3)4/h8-11,13-14,23-25,29,32H,5-7,12,15H2,1-4H3,(H,30,31)/t23-,24-,25+/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
Cathepsin D


(Homo sapiens (human))
BDBM50438350
PNG
(CHEMBL2408763)
Show SMILES CCCCc1ccc2CCC[C@H](NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)c2c1
Show InChI InChI=1S/C26H34F2N2O2/c1-3-4-6-18-9-10-20-7-5-8-24(23(20)13-18)29-16-26(32)25(30-17(2)31)14-19-11-21(27)15-22(28)12-19/h9-13,15,24-26,29,32H,3-8,14,16H2,1-2H3,(H,30,31)/t24-,25-,26+/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
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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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))
BDBM50438348
PNG
(CHEMBL2408762)
Show SMILES CCc1ccc2CCC[C@H](NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)c2c1
Show InChI InChI=1S/C24H30F2N2O2/c1-3-16-7-8-18-5-4-6-22(21(18)11-16)27-14-24(30)23(28-15(2)29)12-17-9-19(25)13-20(26)10-17/h7-11,13,22-24,27,30H,3-6,12,14H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 126n/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))
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))
BDBM50438346
PNG
(CHEMBL2408747)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(OC3CCCC3)cc12
Show InChI InChI=1S/C26H32F2N2O4/c1-16(31)30-24(12-17-10-18(27)13-19(28)11-17)25(32)15-29-23-8-9-33-26-7-6-21(14-22(23)26)34-20-4-2-3-5-20/h6-7,10-11,13-14,20,23-25,29,32H,2-5,8-9,12,15H2,1H3,(H,30,31)/t23-,24-,25+/m0/s1
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n/an/a 145n/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))
BDBM50438345
PNG
(CHEMBL2408761)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C29H32F2N2O2/c1-19(34)33-28(16-22-13-24(30)17-25(31)14-22)29(35)18-32-27-9-5-8-23-11-10-21(15-26(23)27)12-20-6-3-2-4-7-20/h2-4,6-7,10-11,13-15,17,27-29,32,35H,5,8-9,12,16,18H2,1H3,(H,33,34)/t27-,28-,29+/m0/s1
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n/an/a 251n/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))
BDBM50438344
PNG
(CHEMBL2408749)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(OC3CCOC3)cc12
Show InChI InChI=1S/C25H30F2N2O5/c1-15(30)29-23(10-16-8-17(26)11-18(27)9-16)24(31)13-28-22-5-7-33-25-3-2-19(12-21(22)25)34-20-4-6-32-14-20/h2-3,8-9,11-12,20,22-24,28,31H,4-7,10,13-14H2,1H3,(H,29,30)/t20?,22-,23-,24+/m0/s1
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n/an/a 255n/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))
BDBM50438343
PNG
(CHEMBL2408748)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(OC3CCCO3)cc12
Show InChI InChI=1S/C25H30F2N2O5/c1-15(30)29-22(11-16-9-17(26)12-18(27)10-16)23(31)14-28-21-6-8-32-24-5-4-19(13-20(21)24)34-25-3-2-7-33-25/h4-5,9-10,12-13,21-23,25,28,31H,2-3,6-8,11,14H2,1H3,(H,29,30)/t21-,22-,23+,25?/m0/s1
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n/an/a 286n/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))
BDBM50438342
PNG
(CHEMBL2408741)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CS(=O)(=O)Cc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C26H34F2N2O4S/c1-16(31)30-23(10-18-7-20(27)11-21(28)8-18)25(32)13-29-24-15-35(33,34)14-19-6-5-17(9-22(19)24)12-26(2,3)4/h5-9,11,23-25,29,32H,10,12-15H2,1-4H3,(H,30,31)/t23-,24-,25+/m0/s1
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n/an/a 362n/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))
BDBM50438341
PNG
(CHEMBL2408759)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(OC(C)(C)C)cc12
Show InChI InChI=1S/C27H36F2N2O4/c1-16(32)31-22(11-17-9-18(28)12-19(29)10-17)24(33)15-30-23-14-27(5,6)35-25-8-7-20(13-21(23)25)34-26(2,3)4/h7-10,12-13,22-24,30,33H,11,14-15H2,1-6H3,(H,31,32)/t22-,23-,24+/m0/s1
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n/an/a 374n/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))
BDBM50438340
PNG
(CHEMBL2408746)
Show SMILES CC(C)Oc1ccc2OCC[C@H](NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)c2c1
Show InChI InChI=1S/C24H30F2N2O4/c1-14(2)32-19-4-5-24-20(12-19)21(6-7-31-24)27-13-23(30)22(28-15(3)29)10-16-8-17(25)11-18(26)9-16/h4-5,8-9,11-12,14,21-23,27,30H,6-7,10,13H2,1-3H3,(H,28,29)/t21-,22-,23+/m0/s1
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n/an/a 429n/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))
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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n/an/a 478n/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))
BDBM50438338
PNG
(CHEMBL2408740)
Show SMILES CC(C)c1ccc2CS(=O)(=O)C[C@H](NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)c2c1
Show InChI InChI=1S/C24H30F2N2O4S/c1-14(2)17-4-5-18-12-33(31,32)13-23(21(18)9-17)27-11-24(30)22(28-15(3)29)8-16-6-19(25)10-20(26)7-16/h4-7,9-10,14,22-24,27,30H,8,11-13H2,1-3H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 940n/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))
BDBM50438337
PNG
(CHEMBL2408739)
Show SMILES CCc1ccc2CS(=O)(=O)C[C@H](NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)c2c1
Show InChI InChI=1S/C23H28F2N2O4S/c1-3-15-4-5-17-12-32(30,31)13-22(20(17)8-15)26-11-23(29)21(27-14(2)28)9-16-6-18(24)10-19(25)7-16/h4-8,10,21-23,26,29H,3,9,11-13H2,1-2H3,(H,27,28)/t21-,22-,23+/m0/s1
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n/an/a 2.84E+3n/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))
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
* indicates data uncertainty>20%