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Compile Data Set for Download or QSAR

Found 55 hits from Envoy Therapeutics   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383847
PNG
(CHEMBL2031143)
Show SMILES C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383846
PNG
(CHEMBL2031142)
Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29-/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383838
PNG
(CHEMBL2030996)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383837
PNG
(CHEMBL2030998)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-18-8-20(29)12-21(30)9-18)25(35)16-31-24-14-28(6-5-7-28)36-26-22(24)10-19(15-32-26)13-27(2,3)4/h8-10,12,15,23-25,31,35H,5-7,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383851
PNG
(CHEMBL2031145)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-6-5-7-20(29)8-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383850
PNG
(CHEMBL2030994)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-6-5-7-20(29)8-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383855
PNG
(CHEMBL2031149)
Show SMILES COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40FN3O5/c1-28(2,3)11-19-9-22-24(14-29(12-21(34)13-29)38-27(22)32-15-19)31-16-25(35)23(33-26(36)17-37-4)10-18-5-7-20(30)8-6-18/h5-9,15,21,23-25,31,34-35H,10-14,16-17H2,1-4H3,(H,33,36)/t21-,23-,24-,25+,29+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383839
PNG
(CHEMBL2030997)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383854
PNG
(CHEMBL2031148)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383845
PNG
(CHEMBL2031141)
Show SMILES C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383838
PNG
(CHEMBL2030996)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383846
PNG
(CHEMBL2031142)
Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29-/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383856
PNG
(CHEMBL2031150)
Show SMILES CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1
Show InChI InChI=1S/C28H37F2N3O4/c1-27(2,3)10-18-8-21-23(13-28(11-20(34)12-28)37-26(21)32-15-18)31-16-24(35)22(33-25(36)14-29)9-17-4-6-19(30)7-5-17/h4-8,15,20,22-24,31,34-35H,9-14,16H2,1-3H3,(H,33,36)/t20-,22-,23-,24+,28+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383839
PNG
(CHEMBL2030997)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50396108
PNG
(CHEMBL2171307)
Show SMILES COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40FN3O4/c1-28(2,3)14-20-12-22-24(15-29(10-5-11-29)37-27(22)32-16-20)31-17-25(34)23(33-26(35)18-36-4)13-19-6-8-21(30)9-7-19/h6-9,12,16,23-25,31,34H,5,10-11,13-15,17-18H2,1-4H3,(H,33,35)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE in HEK293 cells by HPLC assay


J Med Chem 55: 4877-95 (2012)


Article DOI: 10.1021/jm201136z
BindingDB Entry DOI: 10.7270/Q25140BH
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383841
PNG
(CHEMBL2031000)
Show SMILES C[C@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1
Show InChI InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383857
PNG
(CHEMBL2031151)
Show SMILES CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C24H37N3O4/c1-6-7-19(27-15(2)28)21(30)14-25-20-12-24(10-17(29)11-24)31-22-18(20)8-16(13-26-22)9-23(3,4)5/h6,8,13,17,19-21,25,29-30H,1,7,9-12,14H2,2-5H3,(H,27,28)/t17-,19-,20-,21+,24+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383854
PNG
(CHEMBL2031148)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells stably expressing APP


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383849
PNG
(CHEMBL2030995)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383841
PNG
(CHEMBL2031000)
Show SMILES C[C@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1
Show InChI InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383837
PNG
(CHEMBL2030998)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-18-8-20(29)12-21(30)9-18)25(35)16-31-24-14-28(6-5-7-28)36-26-22(24)10-19(15-32-26)13-27(2,3)4/h8-10,12,15,23-25,31,35H,5-7,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383855
PNG
(CHEMBL2031149)
Show SMILES COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40FN3O5/c1-28(2,3)11-19-9-22-24(14-29(12-21(34)13-29)38-27(22)32-15-19)31-16-25(35)23(33-26(36)17-37-4)10-18-5-7-20(30)8-6-18/h5-9,15,21,23-25,31,34-35H,10-14,16-17H2,1-4H3,(H,33,36)/t21-,23-,24-,25+,29+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells stably expressing APP


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383844
PNG
(CHEMBL2031140)
Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383848
PNG
(CHEMBL2031144)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383852
PNG
(CHEMBL2031146)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(F)(F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H36F3N3O3/c1-17(35)34-22(10-18-5-7-20(29)8-6-18)24(36)14-32-23-12-27(15-28(30,31)16-27)37-25-21(23)9-19(13-33-25)11-26(2,3)4/h5-9,13,22-24,32,36H,10-12,14-16H2,1-4H3,(H,34,35)/t22-,23-,24+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383848
PNG
(CHEMBL2031144)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383844
PNG
(CHEMBL2031140)
Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383856
PNG
(CHEMBL2031150)
Show SMILES CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1
Show InChI InChI=1S/C28H37F2N3O4/c1-27(2,3)10-18-8-21-23(13-28(11-20(34)12-28)37-26(21)32-15-18)31-16-24(35)22(33-25(36)14-29)9-17-4-6-19(30)7-5-17/h4-8,15,20,22-24,31,34-35H,9-14,16H2,1-3H3,(H,33,36)/t20-,22-,23-,24+,28+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells stably expressing APP


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383852
PNG
(CHEMBL2031146)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(F)(F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H36F3N3O3/c1-17(35)34-22(10-18-5-7-20(29)8-6-18)24(36)14-32-23-12-27(15-28(30,31)16-27)37-25-21(23)9-19(13-33-25)11-26(2,3)4/h5-9,13,22-24,32,36H,10-12,14-16H2,1-4H3,(H,34,35)/t22-,23-,24+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383850
PNG
(CHEMBL2030994)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-6-5-7-20(29)8-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383839
PNG
(CHEMBL2030997)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE in HEK293 cells by HPLC assay


J Med Chem 55: 4877-95 (2012)


Article DOI: 10.1021/jm201136z
BindingDB Entry DOI: 10.7270/Q25140BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383853
PNG
(CHEMBL2031147)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383849
PNG
(CHEMBL2030995)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383847
PNG
(CHEMBL2031143)
Show SMILES C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383851
PNG
(CHEMBL2031145)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-6-5-7-20(29)8-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383857
PNG
(CHEMBL2031151)
Show SMILES CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C24H37N3O4/c1-6-7-19(27-15(2)28)21(30)14-25-20-12-24(10-17(29)11-24)31-22-18(20)8-16(13-26-22)9-23(3,4)5/h6,8,13,17,19-21,25,29-30H,1,7,9-12,14H2,2-5H3,(H,27,28)/t17-,19-,20-,21+,24+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells stably expressing APP


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50396107
PNG
(CHEMBL2171306)
Show SMILES CO[C@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C30H42FN3O4/c1-19(37-5)27(36)34-24(14-20-7-9-22(31)10-8-20)26(35)18-32-25-16-30(11-6-12-30)38-28-23(25)13-21(17-33-28)15-29(2,3)4/h7-10,13,17,19,24-26,32,35H,6,11-12,14-16,18H2,1-5H3,(H,34,36)/t19-,24+,25+,26-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE in HEK293 cells by HPLC assay


J Med Chem 55: 4877-95 (2012)


Article DOI: 10.1021/jm201136z
BindingDB Entry DOI: 10.7270/Q25140BH
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383842
PNG
(CHEMBL2029366)
Show SMILES C[C@@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1
Show InChI InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24+,25+,26-,29+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50396106
PNG
(CHEMBL2171305)
Show SMILES CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3F)c2c1
Show InChI InChI=1S/C32H38F2N4O3/c1-31(2,3)16-21-14-24-26(17-32(11-5-12-32)41-30(24)37-18-21)36-19-27(39)25(15-20-7-9-22(33)10-8-20)38-29(40)23-6-4-13-35-28(23)34/h4,6-10,13-14,18,25-27,36,39H,5,11-12,15-17,19H2,1-3H3,(H,38,40)/t25-,26-,27+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE in HEK293 cells by HPLC assay


J Med Chem 55: 4877-95 (2012)


Article DOI: 10.1021/jm201136z
BindingDB Entry DOI: 10.7270/Q25140BH
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383840
PNG
(CHEMBL2030999)
Show SMILES CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C24H37N3O3/c1-6-8-19(27-16(2)28)21(29)15-25-20-13-24(9-7-10-24)30-22-18(20)11-17(14-26-22)12-23(3,4)5/h6,11,14,19-21,25,29H,1,7-10,12-13,15H2,2-5H3,(H,27,28)/t19-,20-,21+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50396105
PNG
(CHEMBL2171304)
Show SMILES CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3)c2c1
Show InChI InChI=1S/C32H39FN4O3/c1-31(2,3)16-22-14-25-27(17-32(11-5-12-32)40-30(25)36-18-22)35-20-28(38)26(15-21-7-9-24(33)10-8-21)37-29(39)23-6-4-13-34-19-23/h4,6-10,13-14,18-19,26-28,35,38H,5,11-12,15-17,20H2,1-3H3,(H,37,39)/t26-,27-,28+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE in HEK293 cells by HPLC assay


J Med Chem 55: 4877-95 (2012)


Article DOI: 10.1021/jm201136z
BindingDB Entry DOI: 10.7270/Q25140BH
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383845
PNG
(CHEMBL2031141)
Show SMILES C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383853
PNG
(CHEMBL2031147)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells stably expressing APP


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383842
PNG
(CHEMBL2029366)
Show SMILES C[C@@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1
Show InChI InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24+,25+,26-,29+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50396104
PNG
(CHEMBL2171303)
Show SMILES CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cncc(F)c3)c2c1
Show InChI InChI=1S/C32H38F2N4O3/c1-31(2,3)14-21-11-25-27(15-32(9-4-10-32)41-30(25)37-16-21)36-19-28(39)26(12-20-5-7-23(33)8-6-20)38-29(40)22-13-24(34)18-35-17-22/h5-8,11,13,16-18,26-28,36,39H,4,9-10,12,14-15,19H2,1-3H3,(H,38,40)/t26-,27-,28+/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of BACE in HEK293 cells by HPLC assay


J Med Chem 55: 4877-95 (2012)


Article DOI: 10.1021/jm201136z
BindingDB Entry DOI: 10.7270/Q25140BH
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383856
PNG
(CHEMBL2031150)
Show SMILES CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1
Show InChI InChI=1S/C28H37F2N3O4/c1-27(2,3)10-18-8-21-23(13-28(11-20(34)12-28)37-26(21)32-15-18)31-16-24(35)22(33-25(36)14-29)9-17-4-6-19(30)7-5-17/h4-8,15,20,22-24,31,34-35H,9-14,16H2,1-3H3,(H,33,36)/t20-,22-,23-,24+,28+/m0/s1
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n/an/a 347n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383840
PNG
(CHEMBL2030999)
Show SMILES CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C24H37N3O3/c1-6-8-19(27-16(2)28)21(29)15-25-20-13-24(9-7-10-24)30-22-18(20)11-17(14-26-22)12-23(3,4)5/h6,11,14,19-21,25,29H,1,7-10,12-13,15H2,2-5H3,(H,27,28)/t19-,20-,21+/m0/s1
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n/an/a 465n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383854
PNG
(CHEMBL2031148)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28+/m0/s1
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n/an/a 577n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383855
PNG
(CHEMBL2031149)
Show SMILES COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40FN3O5/c1-28(2,3)11-19-9-22-24(14-29(12-21(34)13-29)38-27(22)32-15-19)31-16-25(35)23(33-26(36)17-37-4)10-18-5-7-20(30)8-6-18/h5-9,15,21,23-25,31,34-35H,10-14,16-17H2,1-4H3,(H,33,36)/t21-,23-,24-,25+,29+/m0/s1
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n/an/a 695n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383853
PNG
(CHEMBL2031147)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28-/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair
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