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5 similar compounds to monomer 50254744

Compile data set for download or QSAR
Wt: 527.6
BDBM50254784
Wt: 541.6
BDBM50254785
Wt: 527.6
BDBM50254714
Wt: 545.6
BDBM50254745
Wt: 559.6
BDBM50254746

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50254784,50254785,50254714,50254745,50254746   
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))
BDBM50254784
PNG
(CHEMBL517179 | N5-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254785
PNG
(CHEMBL464918 | N6-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254745
PNG
(CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254746
PNG
(CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1
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n/an/a 262n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254785
PNG
(CHEMBL464918 | N6-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254746
PNG
(CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254745
PNG
(CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1
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n/an/a 2.09E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254714
PNG
(CHEMBL473854 | N7-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254784
PNG
(CHEMBL517179 | N5-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254714
PNG
(CHEMBL473854 | N7-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair