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Found 30 hits of Enz. Inhib. data with enzyme = 'Beta-secretase 1' and Substrate = 'MBPAPPC125'   
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))
BDBM16770
PNG
((1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methyl...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C38H50F2N4O9/c1-5-10-44(11-6-2)36(49)24-9-7-8-23(15-24)34(47)42-30(14-22-12-27(39)19-28(40)13-22)31(45)20-32(46)43-33(21(3)4)35(48)41-29-17-25(37(50)51)16-26(18-29)38(52)53/h7-9,12-13,15,19,21,25-26,29-31,33,45H,5-6,10-11,14,16-18,20H2,1-4H3,(H,41,48)(H,42,47)(H,43,46)(H,50,51)(H,52,53)/t25-,26+,29-,30-,31-,33-/m0/s1
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n/an/a 1n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16250
PNG
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1
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n/an/a 3n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q22Z13RC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15797
PNG
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-i...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1
Show InChI InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
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n/an/a 5n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16771
PNG
((1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methyl...)
Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C38H43F2N3O9/c1-20(2)33(35(47)41-27-16-23(37(49)50)15-24(17-27)38(51)52)43-32(45)19-31(44)30(14-21-12-25(39)18-26(40)13-21)42-36(48)34(46)29-11-7-6-10-28(29)22-8-4-3-5-9-22/h3-13,18,20,23-24,27,30-31,33-34,44,46H,14-17,19H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,49,50)(H,51,52)/t23-,24+,27-,30-,31-,33-,34?/m0/s1
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n/an/a 20n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15798
PNG
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-m...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1
Show InChI InChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1
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n/an/a 20n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16765
PNG
(4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipro...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C35H47F2N3O6/c1-4-13-40(14-5-2)34(44)27-8-6-7-26(19-27)33(43)39-30(18-24-16-28(36)20-29(37)17-24)31(41)15-22(3)32(42)38-21-23-9-11-25(12-10-23)35(45)46/h6-8,16-17,19-20,22-23,25,30-31,41H,4-5,9-15,18,21H2,1-3H3,(H,38,42)(H,39,43)(H,45,46)/t22-,23-,25-,30+,31+/m1/s1
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n/an/a 26n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15790
PNG
(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C
Show InChI InChI=1S/C31H43F2N3O4/c1-6-11-36(12-7-2)31(40)24-10-8-9-23(17-24)30(39)35-27(16-22-14-25(32)18-26(33)15-22)28(37)13-21(5)29(38)34-19-20(3)4/h8-10,14-15,17-18,20-21,27-28,37H,6-7,11-13,16,19H2,1-5H3,(H,34,38)(H,35,39)/t21-,27+,28+/m1/s1
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Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15790
PNG
(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C
Show InChI InChI=1S/C31H43F2N3O4/c1-6-11-36(12-7-2)31(40)24-10-8-9-23(17-24)30(39)35-27(16-22-14-25(32)18-26(33)15-22)28(37)13-21(5)29(38)34-19-20(3)4/h8-10,14-15,17-18,20-21,27-28,37H,6-7,11-13,16,19H2,1-5H3,(H,34,38)(H,35,39)/t21-,27+,28+/m1/s1
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Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16798
PNG
((4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H66N6O11S/c1-22(2)19-31(46-39(55)30(17-18-59-9)45-40(56)35(24(5)6)43-26(8)48)33(49)21-28(23(3)4)37(53)42-25(7)36(52)44-29(15-16-34(50)51)38(54)47-32(41(57)58)20-27-13-11-10-12-14-27/h10-14,22-25,28-33,35,49H,15-21H2,1-9H3,(H,42,53)(H,43,48)(H,44,52)(H,45,56)(H,46,55)(H,47,54)(H,50,51)(H,57,58)/t25-,28-,29-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 30n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q22Z13RC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16766
PNG
(4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipro...)
Show SMILES CCC[C@H](C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N(CCC)CCC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C37H51F2N3O6/c1-4-8-27(34(44)40-23-24-11-13-26(14-12-24)37(47)48)21-33(43)32(19-25-17-30(38)22-31(39)18-25)41-35(45)28-9-7-10-29(20-28)36(46)42(15-5-2)16-6-3/h7,9-10,17-18,20,22,24,26-27,32-33,43H,4-6,8,11-16,19,21,23H2,1-3H3,(H,40,44)(H,41,45)(H,47,48)/t24-,26-,27-,32+,33+/m1/s1
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Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16761
PNG
(4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipro...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C36H49F2N3O6/c1-4-14-41(15-5-2)35(45)28-9-7-8-27(19-28)34(44)40-31(18-24-16-29(37)21-30(38)17-24)32(42)20-25(6-3)33(43)39-22-23-10-12-26(13-11-23)36(46)47/h7-9,16-17,19,21,23,25-26,31-32,42H,4-6,10-15,18,20,22H2,1-3H3,(H,39,43)(H,40,44)(H,46,47)/t23-,25-,26-,31+,32+/m1/s1
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Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15794
PNG
((1S,2R)-N-[1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(S)...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C
Show InChI InChI=1S/C32H46F2N4O4/c1-7-9-38(10-8-2)32(42)25-12-21(5)11-24(16-25)31(41)37-28(15-23-13-26(33)17-27(34)14-23)29(39)19-35-22(6)30(40)36-18-20(3)4/h11-14,16-17,20,22,28-29,35,39H,7-10,15,18-19H2,1-6H3,(H,36,40)(H,37,41)/t22-,28-,29+/m0/s1
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Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15792
PNG
(3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C
Show InChI InChI=1S/C31H44F2N4O4/c1-6-11-37(12-7-2)31(41)24-10-8-9-23(16-24)30(40)36-27(15-22-13-25(32)17-26(33)14-22)28(38)19-34-21(5)29(39)35-18-20(3)4/h8-10,13-14,16-17,20-21,27-28,34,38H,6-7,11-12,15,18-19H2,1-5H3,(H,35,39)(H,36,40)/t21-,27-,28+/m0/s1
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n/an/a 130n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15796
PNG
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(ben...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccccc1
Show InChI InChI=1S/C32H39F2N3O3/c1-4-11-37(12-5-2)32(40)26-14-22(3)13-25(18-26)31(39)36-29(17-24-15-27(33)19-28(34)16-24)30(38)21-35-20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-30,35,38H,4-5,11-12,17,20-21H2,1-3H3,(H,36,39)/t29-,30+/m0/s1
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n/an/a 130n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16760
PNG
(8-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(O)=O
Show InChI InChI=1S/C36H51F2N3O6/c1-4-17-41(18-5-2)36(47)28-14-12-13-27(22-28)35(46)40-31(21-25-19-29(37)24-30(38)20-25)32(42)23-26(6-3)34(45)39-16-11-9-7-8-10-15-33(43)44/h12-14,19-20,22,24,26,31-32,42H,4-11,15-18,21,23H2,1-3H3,(H,39,45)(H,40,46)(H,43,44)/t26-,31+,32+/m1/s1
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n/an/a 200n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15795
PNG
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(1-i...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)C(=O)NCC(C)C
Show InChI InChI=1S/C33H48F2N4O4/c1-8-10-39(11-9-2)31(42)25-13-22(5)12-24(17-25)30(41)38-28(16-23-14-26(34)18-27(35)15-23)29(40)20-37-33(6,7)32(43)36-19-21(3)4/h12-15,17-18,21,28-29,37,40H,8-11,16,19-20H2,1-7H3,(H,36,43)(H,38,41)/t28-,29+/m0/s1
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n/an/a 200n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16759
PNG
(6-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C34H47F2N3O6/c1-4-15-39(16-5-2)34(45)26-12-10-11-25(20-26)33(44)38-29(19-23-17-27(35)22-28(36)18-23)30(40)21-24(6-3)32(43)37-14-9-7-8-13-31(41)42/h10-12,17-18,20,22,24,29-30,40H,4-9,13-16,19,21H2,1-3H3,(H,37,43)(H,38,44)(H,41,42)/t24-,29+,30+/m1/s1
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n/an/a 240n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16757
PNG
(4-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C32H43F2N3O6/c1-4-13-37(14-5-2)32(43)24-10-7-9-23(18-24)31(42)36-27(17-21-15-25(33)20-26(34)16-21)28(38)19-22(6-3)30(41)35-12-8-11-29(39)40/h7,9-10,15-16,18,20,22,27-28,38H,4-6,8,11-14,17,19H2,1-3H3,(H,35,41)(H,36,42)(H,39,40)/t22-,27+,28+/m1/s1
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n/an/a 310n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16768
PNG
(4-{[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipro...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C38H53F2N3O6/c1-5-14-43(15-6-2)37(47)29-9-7-8-28(20-29)36(46)42-33(19-26-17-31(39)22-32(40)18-26)34(44)21-30(16-24(3)4)35(45)41-23-25-10-12-27(13-11-25)38(48)49/h7-9,17-18,20,22,24-25,27,30,33-34,44H,5-6,10-16,19,21,23H2,1-4H3,(H,41,45)(H,42,46)(H,48,49)/t25-,27-,30-,33+,34+/m1/s1
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n/an/a 310n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16758
PNG
(5-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C33H45F2N3O6/c1-4-14-38(15-5-2)33(44)25-11-9-10-24(19-25)32(43)37-28(18-22-16-26(34)21-27(35)17-22)29(39)20-23(6-3)31(42)36-13-8-7-12-30(40)41/h9-11,16-17,19,21,23,28-29,39H,4-8,12-15,18,20H2,1-3H3,(H,36,42)(H,37,43)(H,40,41)/t23-,28+,29+/m1/s1
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n/an/a 400n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16767
PNG
(4-{[(4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(dipropyl...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CCC(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C34H45F2N3O6/c1-3-14-39(15-4-2)33(43)26-7-5-6-25(19-26)32(42)38-29(18-23-16-27(35)20-28(36)17-23)30(40)12-13-31(41)37-21-22-8-10-24(11-9-22)34(44)45/h5-7,16-17,19-20,22,24,29-30,40H,3-4,8-15,18,21H2,1-2H3,(H,37,41)(H,38,42)(H,44,45)/t22-,24-,29-,30-/m0/s1
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n/an/a 400n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16762
PNG
(Hydroxyethylene-Based Peptidomimetic Inhibitor, 12...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(=O)OC
Show InChI InChI=1S/C37H53F2N3O6/c1-5-18-42(19-6-2)37(47)29-15-13-14-28(23-29)36(46)41-32(22-26-20-30(38)25-31(39)21-26)33(43)24-27(7-3)35(45)40-17-12-10-8-9-11-16-34(44)48-4/h13-15,20-21,23,25,27,32-33,43H,5-12,16-19,22,24H2,1-4H3,(H,40,45)(H,41,46)/t27-,32+,33+/m1/s1
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n/an/a 410n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15793
PNG
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(R)-...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H](C)C(=O)NCC(C)C
Show InChI InChI=1S/C31H44F2N4O4/c1-6-11-37(12-7-2)31(41)24-10-8-9-23(16-24)30(40)36-27(15-22-13-25(32)17-26(33)14-22)28(38)19-34-21(5)29(39)35-18-20(3)4/h8-10,13-14,16-17,20-21,27-28,34,38H,6-7,11-12,15,18-19H2,1-5H3,(H,35,39)(H,36,40)/t21-,27+,28-/m1/s1
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n/an/a 500n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16764
PNG
(3-N-[(2S,3S,5R)-5-(benzylcarbamoyl)-1-(3,5-difluor...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccccc1
Show InChI InChI=1S/C35H43F2N3O4/c1-4-15-40(16-5-2)35(44)28-14-10-13-27(20-28)34(43)39-31(19-25-17-29(36)22-30(37)18-25)32(41)21-26(6-3)33(42)38-23-24-11-8-7-9-12-24/h7-14,17-18,20,22,26,31-32,41H,4-6,15-16,19,21,23H2,1-3H3,(H,38,42)(H,39,43)/t26-,31+,32+/m1/s1
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n/an/a 1.40E+3n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16756
PNG
(3-[(2R,4S,5S)-6-(3,5-difluorophenyl)-5-{[3-(diprop...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O
Show InChI InChI=1S/C31H41F2N3O6/c1-4-12-36(13-5-2)31(42)23-9-7-8-22(17-23)30(41)35-26(16-20-14-24(32)19-25(33)15-20)27(37)18-21(6-3)29(40)34-11-10-28(38)39/h7-9,14-15,17,19,21,26-27,37H,4-6,10-13,16,18H2,1-3H3,(H,34,40)(H,35,41)(H,38,39)/t21-,26+,27+/m1/s1
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n/an/a 2.80E+3n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16799
PNG
((4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4...)
Show SMILES CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H55N5O11/c1-23(2)20-31(45-41(56)37(52)29-17-11-15-27-14-9-10-16-28(27)29)33(48)22-34(49)47-36(24(3)4)40(55)43-25(5)38(53)44-30(18-19-35(50)51)39(54)46-32(42(57)58)21-26-12-7-6-8-13-26/h6-17,23-25,30-33,36-37,48,52H,18-22H2,1-5H3,(H,43,55)(H,44,53)(H,45,56)(H,46,54)(H,47,49)(H,50,51)(H,57,58)/t25-,30-,31-,32-,33-,36-,37?/m0/s1
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n/an/a 4.00E+3n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q22Z13RC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16763
PNG
(3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-5-{[(1R,3R,...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)OC)OC
Show InChI InChI=1S/C36H51F2N3O6/c1-6-12-41(13-7-2)36(45)26-11-9-10-25(17-26)35(44)40-32(16-23-14-27(37)19-28(38)15-23)33(42)18-24(8-3)34(43)39-29-20-30(46-4)22-31(21-29)47-5/h9-11,14-15,17,19,24,29-33,42H,6-8,12-13,16,18,20-22H2,1-5H3,(H,39,43)(H,40,44)/t24-,29-,30+,31-,32+,33+/m1/s1
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n/an/a 6.60E+3n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16800
PNG
((4S)-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-4...)
Show SMILES CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H54N4O10/c1-23(2)20-32(44-40(53)36(49)29-17-11-15-27-14-9-10-16-28(27)29)34(46)22-30(24(3)4)38(51)42-25(5)37(50)43-31(18-19-35(47)48)39(52)45-33(41(54)55)21-26-12-7-6-8-13-26/h6-17,23-25,30-34,36,46,49H,18-22H2,1-5H3,(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)(H,54,55)/t25-,30-,31-,32-,33-,34-,36?/m0/s1
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n/an/a 7.50E+3n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q22Z13RC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16769
PNG
(4-{[(2R,4S,5S)-2-benzyl-6-(3,5-difluorophenyl)-5-{...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C41H51F2N3O6/c1-3-17-46(18-4-2)40(50)32-12-8-11-31(23-32)39(49)45-36(22-29-20-34(42)25-35(43)21-29)37(47)24-33(19-27-9-6-5-7-10-27)38(48)44-26-28-13-15-30(16-14-28)41(51)52/h5-12,20-21,23,25,28,30,33,36-37,47H,3-4,13-19,22,24,26H2,1-2H3,(H,44,48)(H,45,49)(H,51,52)/t28-,30-,33-,36+,37+/m1/s1
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n/an/a 2.70E+4n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15791
PNG
(3-N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@@H](C)C(=O)NCC(C)C
Show InChI InChI=1S/C31H44F2N4O4/c1-6-11-37(12-7-2)31(41)24-10-8-9-23(16-24)30(40)36-27(15-22-13-25(32)17-26(33)14-22)28(38)19-34-21(5)29(39)35-18-20(3)4/h8-10,13-14,16-17,20-21,27-28,34,38H,6-7,11-12,15,18-19H2,1-5H3,(H,35,39)(H,36,40)/t21-,27-,28-/m0/s1
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n/an/a 6.80E+4n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 50: 776-81 (2007)


Article DOI: 10.1021/jm061242y
BindingDB Entry DOI: 10.7270/Q2K935TZ
More data for this
Ligand-Target Pair