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Found 23 hits of Enz. Inhib. data with enzyme = 'Beta-secretase 1' and Substrate = 'APP_NFEV'   
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))
BDBM16679
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CCC(F)(F)F
Show InChI InChI=1S/C25H34F3N5O3S/c1-16-11-19(16)15-30-22-13-18(14-23(32-22)33(2)37(3,35)36)24(34)31-21(12-17-7-5-4-6-8-17)20(29)9-10-25(26,27)28/h4-8,13-14,16,19-21H,9-12,15,29H2,1-3H3,(H,30,32)(H,31,34)/t16-,19+,20-,21-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16688
PNG
(N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2...)
Show SMILES COCCN(C[C@H]1C[C@@H]1C)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)COC
Show InChI InChI=1S/C29H45N5O5S/c1-20(2)40(36,37)33(4)27-16-23(17-28(32-27)34(12-13-38-5)18-24-14-21(24)3)29(35)31-26(25(30)19-39-6)15-22-10-8-7-9-11-22/h7-11,16-17,20-21,24-26H,12-15,18-19,30H2,1-6H3,(H,31,35)/t21-,24+,25-,26-/m0/s1
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n/an/a 6n/an/an/an/an/a37



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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16676
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES CCCC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C26H37F2N5O3S/c1-5-6-7-22(29)23(11-17-9-20(27)14-21(28)10-17)31-26(34)18-12-24(30-15-19-8-16(19)2)32-25(13-18)33(3)37(4,35)36/h9-10,12-14,16,19,22-23H,5-8,11,15,29H2,1-4H3,(H,30,32)(H,31,34)/t16-,19+,22-,23-/m0/s1
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n/an/a 9n/an/an/an/an/a37



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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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n/an/a 10n/an/an/an/a4.537



Merck Research Laboratories



Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16680
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES CCCC[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C24H37N5O3S2/c1-5-6-7-20(25)21(11-17-8-9-33-15-17)27-24(30)18-12-22(26-14-19-10-16(19)2)28-23(13-18)29(3)34(4,31)32/h8-9,12-13,15-16,19-21H,5-7,10-11,14,25H2,1-4H3,(H,26,28)(H,27,30)/t16-,19+,20-,21-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16041
PNG
(3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1
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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16685
PNG
(N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2...)
Show SMILES COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C
Show InChI InChI=1S/C25H37N5O4S/c1-17-11-20(17)15-29(2)23-13-19(14-24(28-23)30(3)35(5,32)33)25(31)27-22(21(26)16-34-4)12-18-9-7-6-8-10-18/h6-10,13-14,17,20-22H,11-12,15-16,26H2,1-5H3,(H,27,31)/t17-,20+,21-,22-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16675
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C26H36F2N4O4S/c1-5-6-7-23(33)22(11-17-9-20(27)14-21(28)10-17)30-26(34)18-12-24(29-15-19-8-16(19)2)31-25(13-18)32(3)37(4,35)36/h9-10,12-14,16,19,22-23,33H,5-8,11,15H2,1-4H3,(H,29,31)(H,30,34)/t16-,19+,22-,23-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16678
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C26H39N5O3S/c1-5-6-12-22(27)23(14-19-10-8-7-9-11-19)29-26(32)20-15-24(28-17-21-13-18(21)2)30-25(16-20)31(3)35(4,33)34/h7-11,15-16,18,21-23H,5-6,12-14,17,27H2,1-4H3,(H,28,30)(H,29,32)/t18-,21+,22-,23-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16686
PNG
(N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2...)
Show SMILES COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C
Show InChI InChI=1S/C27H41N5O4S/c1-18(2)37(34,35)32(5)26-15-21(14-25(30-26)31(4)16-22-12-19(22)3)27(33)29-24(23(28)17-36-6)13-20-10-8-7-9-11-20/h7-11,14-15,18-19,22-24H,12-13,16-17,28H2,1-6H3,(H,29,33)/t19-,22+,23-,24-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16687
PNG
(N-[(2S,3R)-3-amino-4-ethoxy-1-phenylbutan-2-yl]-2-...)
Show SMILES CCOC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C
Show InChI InChI=1S/C28H43N5O4S/c1-7-37-18-24(29)25(14-21-11-9-8-10-12-21)30-28(34)22-15-26(32(5)17-23-13-20(23)4)31-27(16-22)33(6)38(35,36)19(2)3/h8-12,15-16,19-20,23-25H,7,13-14,17-18,29H2,1-6H3,(H,30,34)/t20-,23+,24-,25-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16040
PNG
((3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-...)
Show SMILES C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1
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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16682
PNG
(N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl(...)
Show SMILES CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C
Show InChI InChI=1S/C27H41N5O3S/c1-6-7-13-23(28)24(15-20-11-9-8-10-12-20)29-27(33)21-16-25(31(3)18-22-14-19(22)2)30-26(17-21)32(4)36(5,34)35/h8-12,16-17,19,22-24H,6-7,13-15,18,28H2,1-5H3,(H,29,33)/t19-,22+,23-,24-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16681
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES C[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C21H31N5O3S2/c1-13-7-17(13)11-23-19-9-16(10-20(25-19)26(3)31(4,28)29)21(27)24-18(14(2)22)8-15-5-6-30-12-15/h5-6,9-10,12-14,17-18H,7-8,11,22H2,1-4H3,(H,23,25)(H,24,27)/t13-,14-,17+,18-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16677
PNG
(Mixture of trans methyl(cyclopropylmethyl)diastere...)
Show SMILES C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1ccccc1
Show InChI InChI=1S/C22H31N5O3S/c1-15-9-18(15)14-24-20-11-17(12-21(26-20)27(2)31(3,29)30)22(28)25-19(13-23)10-16-7-5-4-6-8-16/h4-8,11-12,15,18-19H,9-10,13-14,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,18+,19-/m0/s1
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n/an/a 34n/an/an/an/an/a37



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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16683
PNG
(N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl(...)
Show SMILES CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(CCC)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C
Show InChI InChI=1S/C29H45N5O3S/c1-6-8-14-25(30)26(17-22-12-10-9-11-13-22)31-29(35)23-18-27(33(4)20-24-16-21(24)3)32-28(19-23)34(15-7-2)38(5,36)37/h9-13,18-19,21,24-26H,6-8,14-17,20,30H2,1-5H3,(H,31,35)/t21-,24+,25-,26-/m0/s1
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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16684
PNG
(N-[(2S,3S)-3-amino-1-phenylbutan-2-yl]-2-[methyl({...)
Show SMILES CCCN(c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](C)N)S(C)(=O)=O
Show InChI InChI=1S/C26H39N5O3S/c1-6-12-31(35(5,33)34)25-16-21(15-24(29-25)30(4)17-22-13-18(22)2)26(32)28-23(19(3)27)14-20-10-8-7-9-11-20/h7-11,15-16,18-19,22-23H,6,12-14,17,27H2,1-5H3,(H,28,32)/t18-,19-,22+,23-/m0/s1
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n/an/a 67n/an/an/an/an/a37



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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16674
PNG
(N-[(2S)-1-(3,5-difluorophenyl)-3-hydroxypropan-2-y...)
Show SMILES C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C22H28F2N4O4S/c1-13-4-16(13)11-25-20-8-15(9-21(27-20)28(2)33(3,31)32)22(30)26-19(12-29)7-14-5-17(23)10-18(24)6-14/h5-6,8-10,13,16,19,29H,4,7,11-12H2,1-3H3,(H,25,27)(H,26,30)/t13-,16+,19-/m0/s1
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n/an/a 74n/an/an/an/an/a37



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Assay Description
HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or...


Bioorg Med Chem Lett 17: 1788-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q2CF9NCQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16036
PNG
(2-Amino-2-benzyl-3-hydroxypropyl-3-({[(1R)-1-(4-fl...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28?/m1/s1
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n/an/a 200n/an/an/an/a4.537



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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16039
PNG
(3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1...)
Show SMILES C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H34FN3O4S/c1-20(23-10-12-25(29)13-11-23)31-27(33)24-14-22(15-26(16-24)32(3)37(4,34)35)18-36-19-28(2,30)17-21-8-6-5-7-9-21/h5-16,20H,17-19,30H2,1-4H3,(H,31,33)/t20-,28-/m1/s1
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n/an/a 430n/an/an/an/a4.537



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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16038
PNG
(3-[(2-amino-2-benzyl-3-hydroxypropoxy)methyl]-N-[(...)
Show SMILES C[C@@H](NC(=O)c1cc(COC[C@@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H34FN3O5S/c1-20(23-9-11-25(29)12-10-23)31-27(34)24-13-22(14-26(15-24)32(2)38(3,35)36)17-37-19-28(30,18-33)16-21-7-5-4-6-8-21/h4-15,20,33H,16-19,30H2,1-3H3,(H,31,34)/t20-,28+/m1/s1
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n/an/a 1.37E+3n/an/an/an/a4.537



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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16037
PNG
(1-N-(2-benzyl-1,3-dihydroxypropan-2-yl)-3-N-[(1R)-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)30-26(35)22-13-23(15-25(14-22)32(2)39(3,37)38)27(36)31-28(17-33,18-34)16-20-7-5-4-6-8-20/h4-15,19,33-34H,16-18H2,1-3H3,(H,30,35)(H,31,36)/t19-/m1/s1
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n/an/a 2.70E+3n/an/an/an/a4.537



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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16035
PNG
(3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxaz...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C1=NC(CO)(Cc2ccccc2)CO1)N(C)S(C)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H30FN3O5S/c1-19(21-9-11-24(29)12-10-21)30-26(34)22-13-23(15-25(14-22)32(2)38(3,35)36)27-31-28(17-33,18-37-27)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18H2,1-3H3,(H,30,34)/t19-,28?/m1/s1
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Assay Description
For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...


J Med Chem 49: 7270-3 (2006)


Article DOI: 10.1021/jm061046r
BindingDB Entry DOI: 10.7270/Q2513WGP
More data for this
Ligand-Target Pair