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49 similar compounds to monomer 16034

Compile data set for download or QSAR
Wt: 488.6
BDBM16020
Wt: 487.6
BDBM16021
Wt: 549.6
BDBM16022
Wt: 551.6
BDBM16023
Wt: 535.6
BDBM16024
Wt: 537.6
BDBM16025
Wt: 533.6
BDBM16026
Wt: 521.6
BDBM16027
Wt: 541.7
BDBM16028
Wt: 501.6
BDBM16029
Wt: 527.6
BDBM16030
Wt: 497.6
BDBM16031
Wt: 497.6
BDBM16032
Wt: 499.6
BDBM16033
Wt: 582.6
BDBM16408
Displayed 1 to 15 (of 49 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 16020,16021,16022,16023,16024,16025,16026,16027,16028,16029,16030,16031,16032,16033,16408   
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))
BDBM16020
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C24H32N4O5S/c1-25-23(30)17-12-18(14-20(13-17)28(2)34(3,32)33)24(31)27-21(11-16-7-5-4-6-8-16)22(29)15-26-19-9-10-19/h4-8,12-14,19,21-22,26,29H,9-11,15H2,1-3H3,(H,25,30)(H,27,31)/t21-,22+/m0/s1
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n/an/a 980n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16408
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H35FN4O5S/c1-19(21-8-10-24(31)11-9-21)33-29(37)22-15-23(17-26(16-22)35-41(2,39)40)30(38)34-27(14-20-6-4-3-5-7-20)28(36)18-32-25-12-13-25/h3-11,15-17,19,25,27-28,32,35-36H,12-14,18H2,1-2H3,(H,33,37)(H,34,38)/t19-,27+,28-/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16022
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)Cc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C30H35N3O5S/c1-33(39(2,37)38)26-18-23(28(34)16-22-11-7-4-8-12-22)17-24(19-26)30(36)32-27(15-21-9-5-3-6-10-21)29(35)20-31-25-13-14-25/h3-12,17-19,25,27,29,31,35H,13-16,20H2,1-2H3,(H,32,36)/t27-,29+/m0/s1
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n/an/a 1.40E+3n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16023
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)Cc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C30H37N3O5S/c1-33(39(2,37)38)26-18-23(28(34)16-22-11-7-4-8-12-22)17-24(19-26)30(36)32-27(15-21-9-5-3-6-10-21)29(35)20-31-25-13-14-25/h3-12,17-19,25,27-29,31,34-35H,13-16,20H2,1-2H3,(H,32,36)/t27-,28?,29+/m0/s1
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n/an/a 5.50E+3n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16024
PNG
(3-benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydrox...)
Show SMILES CN(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H33N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-27,30,33H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1
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n/an/a 98n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16025
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C29H35N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-28,30,33-34H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+,28?/m0/s1
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n/an/a 5.90E+3n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16026
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(cc(c1)C(=C)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H35N3O4S/c1-21(23-12-8-5-9-13-23)24-17-25(19-27(18-24)33(2)38(3,36)37)30(35)32-28(16-22-10-6-4-7-11-22)29(34)20-31-26-14-15-26/h4-13,17-19,26,28-29,31,34H,1,14-16,20H2,2-3H3,(H,32,35)/t28-,29+/m0/s1
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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16027
PNG
(3-benzyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy...)
Show SMILES CN(c1cc(Cc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H35N3O4S/c1-32(37(2,35)36)26-17-23(15-21-9-5-3-6-10-21)16-24(19-26)29(34)31-27(18-22-11-7-4-8-12-22)28(33)20-30-25-13-14-25/h3-12,16-17,19,25,27-28,30,33H,13-15,18,20H2,1-2H3,(H,31,34)/t27-,28+/m0/s1
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n/an/a 4.63E+3n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16028
PNG
(3-cyclohexanecarbonyl-N-[(2S,3R)-4-(cyclopropylami...)
Show SMILES CN(c1cc(cc(c1)C(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H39N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3,5-6,9-10,16-18,21,24,26-27,30,33H,4,7-8,11-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1
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n/an/a 450n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16029
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CC(C)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C26H35N3O5S/c1-17(2)25(31)19-13-20(15-22(14-19)29(3)35(4,33)34)26(32)28-23(12-18-8-6-5-7-9-18)24(30)16-27-21-10-11-21/h5-9,13-15,17,21,23-24,27,30H,10-12,16H2,1-4H3,(H,28,32)/t23-,24+/m0/s1
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n/an/a 240n/an/an/an/a4.522



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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16030
PNG
(3-cyclopentanecarbonyl-N-[(2S,3R)-4-(cyclopropylam...)
Show SMILES CN(c1cc(cc(c1)C(=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C28H37N3O5S/c1-31(37(2,35)36)24-16-21(27(33)20-10-6-7-11-20)15-22(17-24)28(34)30-25(14-19-8-4-3-5-9-19)26(32)18-29-23-12-13-23/h3-5,8-9,15-17,20,23,25-26,29,32H,6-7,10-14,18H2,1-2H3,(H,30,34)/t25-,26+/m0/s1
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n/an/a 180n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16031
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(\C=C\C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H35N3O4S/c1-30(35(2,33)34)24-15-21(11-10-19-8-9-19)14-22(17-24)27(32)29-25(16-20-6-4-3-5-7-20)26(31)18-28-23-12-13-23/h3-7,10-11,14-15,17,19,23,25-26,28,31H,8-9,12-13,16,18H2,1-2H3,(H,29,32)/b11-10+/t25-,26+/m0/s1
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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16032
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(\C=C/C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H35N3O4S/c1-30(35(2,33)34)24-15-21(11-10-19-8-9-19)14-22(17-24)27(32)29-25(16-20-6-4-3-5-7-20)26(31)18-28-23-12-13-23/h3-7,10-11,14-15,17,19,23,25-26,28,31H,8-9,12-13,16,18H2,1-2H3,(H,29,32)/b11-10-/t25-,26+/m0/s1
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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16033
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CN(c1cc(CCC2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H37N3O4S/c1-30(35(2,33)34)24-15-21(11-10-19-8-9-19)14-22(17-24)27(32)29-25(16-20-6-4-3-5-7-20)26(31)18-28-23-12-13-23/h3-7,14-15,17,19,23,25-26,28,31H,8-13,16,18H2,1-2H3,(H,29,32)/t25-,26+/m0/s1
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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16408
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H35FN4O5S/c1-19(21-8-10-24(31)11-9-21)33-29(37)22-15-23(17-26(16-22)35-41(2,39)40)30(38)34-27(14-20-6-4-3-5-7-20)28(36)18-32-25-12-13-25/h3-11,15-17,19,25,27-28,32,35-36H,12-14,18H2,1-2H3,(H,33,37)(H,34,38)/t19-,27+,28-/m1/s1
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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


J Med Chem 47: 6447-50 (2004)


Article DOI: 10.1021/jm049379g
BindingDB Entry DOI: 10.7270/Q2XD0ZXT
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM16408
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H35FN4O5S/c1-19(21-8-10-24(31)11-9-21)33-29(37)22-15-23(17-26(16-22)35-41(2,39)40)30(38)34-27(14-20-6-4-3-5-7-20)28(36)18-32-25-12-13-25/h3-11,15-17,19,25,27-28,32,35-36H,12-14,18H2,1-2H3,(H,33,37)(H,34,38)/t19-,27+,28-/m1/s1
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Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


J Med Chem 47: 6447-50 (2004)


Article DOI: 10.1021/jm049379g
BindingDB Entry DOI: 10.7270/Q2XD0ZXT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16021
PNG
(N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl...)
Show SMILES CCC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C25H33N3O5S/c1-4-23(29)18-13-19(15-21(14-18)28(2)34(3,32)33)25(31)27-22(12-17-8-6-5-7-9-17)24(30)16-26-20-10-11-20/h5-9,13-15,20,22,24,26,30H,4,10-12,16H2,1-3H3,(H,27,31)/t22-,24+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...


Bioorg Med Chem Lett 16: 641-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.032
BindingDB Entry DOI: 10.7270/Q28S4N5N
More data for this
Ligand-Target Pair