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17 similar compounds to monomer 50231504

Compile data set for download or QSAR
Wt: 520.5
BDBM50231470
Wt: 428.4
BDBM50231473
Wt: 470.4
BDBM50231478
Wt: 452.5
BDBM50231483
Wt: 470.4
BDBM50231484
Wt: 390.4
BDBM50231485
Wt: 374.4
BDBM50231486
Wt: 401.4
BDBM50231487
Wt: 362.4
BDBM50231488
Wt: 435.4
BDBM50231489
Wt: 410.4
BDBM50231490
Wt: 482.5
BDBM50231492
Wt: 444.9
BDBM50231493
Wt: 478.4
BDBM50231495
Wt: 440.4
BDBM50231497
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50231470,50231473,50231478,50231483,50231484,50231485,50231486,50231487,50231488,50231489,50231490,50231492,50231493,50231495,50231497   
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))
BDBM50231486
PNG
(CHEMBL401171 | N-{2-[2-(4-allyloxy-phenyl)-5-pheny...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCC=C)cc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-2-14-28-18-10-8-17(9-11-18)20-13-12-19(16-6-4-3-5-7-16)26(20)15-21(27)25-22(23)24/h2-13H,1,14-15H2,(H4,23,24,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231484
PNG
(CHEMBL252026 | N-{2-[2-[4-(4-acetyl-phenoxy)-pheny...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(F)cc3)n2CC(=O)NC(N)=N)cc1
Show InChI InChI=1S/C27H23FN4O3/c1-17(33)18-4-10-22(11-5-18)35-23-12-6-20(7-13-23)25-15-14-24(19-2-8-21(28)9-3-19)32(25)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231485
PNG
(CHEMBL253420 | N-{2-[2-(4-butoxy-phenyl)-5-phenyl-...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C23H26N4O2/c1-2-3-15-29-19-11-9-18(10-12-19)21-14-13-20(17-7-5-4-6-8-17)27(21)16-22(28)26-23(24)25/h4-14H,2-3,15-16H2,1H3,(H4,24,25,26,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231487
PNG
(CHEMBL401172 | N-(2-{2-[4-(3-cyano-propoxy)-phenyl...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCCCC#N)cc1)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c24-14-4-5-15-30-19-10-8-18(9-11-19)21-13-12-20(17-6-2-1-3-7-17)28(21)16-22(29)27-23(25)26/h1-3,6-13H,4-5,15-16H2,(H4,25,26,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231478
PNG
(CHEMBL253241 | N-{2-[2-[4-(4-acetyl-phenoxy)-pheny...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(F)c3)n2CC(=O)NC(N)=N)cc1
Show InChI InChI=1S/C27H23FN4O3/c1-17(33)18-5-9-22(10-6-18)35-23-11-7-19(8-12-23)24-13-14-25(20-3-2-4-21(28)15-20)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231473
PNG
(CHEMBL253031 | N-{2-[2-(3-fluoro-phenyl)-5-(4-phen...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1cccc(F)c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21FN4O2/c26-19-6-4-5-18(15-19)23-14-13-22(30(23)16-24(31)29-25(27)28)17-9-11-21(12-10-17)32-20-7-2-1-3-8-20/h1-15H,16H2,(H4,27,28,29,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231497
PNG
(CHEMBL254091 | N-{2-[2-(3-methoxy-phenyl)-5-(4-phe...)
Show SMILES COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C26H24N4O3/c1-32-22-9-5-6-19(16-22)24-15-14-23(30(24)17-25(31)29-26(27)28)18-10-12-21(13-11-18)33-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H4,27,28,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231489
PNG
(CHEMBL398316 | N-{2-[2-(3-cyano-phenyl)-5-(4-pheno...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1cccc(c1)C#N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O2/c27-16-18-5-4-6-20(15-18)24-14-13-23(31(24)17-25(32)30-26(28)29)19-9-11-22(12-10-19)33-21-7-2-1-3-8-21/h1-15H,17H2,(H4,28,29,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231493
PNG
(CHEMBL253449 | N-{2-[2-(3-chloro-phenyl)-5-(4-phen...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1cccc(Cl)c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21ClN4O2/c26-19-6-4-5-18(15-19)23-14-13-22(30(23)16-24(31)29-25(27)28)17-9-11-21(12-10-17)32-20-7-2-1-3-8-20/h1-15H,16H2,(H4,27,28,29,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231495
PNG
(CHEMBL399083 | N-{2-[2-(4-phenoxy-phenyl)-5-(4-tri...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(cc1)C(F)(F)F)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H21F3N4O2/c27-26(28,29)19-10-6-17(7-11-19)22-14-15-23(33(22)16-24(34)32-25(30)31)18-8-12-21(13-9-18)35-20-4-2-1-3-5-20/h1-15H,16H2,(H4,30,31,32,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231483
PNG
(CHEMBL401289 | N-(2-{2-[4-(4-acetyl-phenoxy)-pheny...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3)n2CC(=O)NC(N)=N)cc1
Show InChI InChI=1S/C27H24N4O3/c1-18(32)19-7-11-22(12-8-19)34-23-13-9-21(10-14-23)25-16-15-24(20-5-3-2-4-6-20)31(25)17-26(33)30-27(28)29/h2-16H,17H2,1H3,(H4,28,29,30,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231492
PNG
(CHEMBL254058 | N-{2-[2-[4-(4-acetyl-phenoxy)-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C28H26N4O4/c1-18(33)19-3-11-23(12-4-19)36-24-13-7-21(8-14-24)26-16-15-25(20-5-9-22(35-2)10-6-20)32(26)17-27(34)31-28(29)30/h3-16H,17H2,1-2H3,(H4,29,30,31,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231490
PNG
(CHEMBL253863 | N-{2-[2-(4-phenoxy-phenyl)-5-phenyl...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4O2/c26-25(27)28-24(30)17-29-22(18-7-3-1-4-8-18)15-16-23(29)19-11-13-21(14-12-19)31-20-9-5-2-6-10-20/h1-16H,17H2,(H4,26,27,28,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231470
PNG
(CHEMBL252007 | N-{2-[2-[4-(4-acetyl-phenoxy)-pheny...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(cc3)C(F)(F)F)n2CC(=O)NC(N)=N)cc1
Show InChI InChI=1S/C28H23F3N4O3/c1-17(36)18-4-10-22(11-5-18)38-23-12-6-20(7-13-23)25-15-14-24(35(25)16-26(37)34-27(32)33)19-2-8-21(9-3-19)28(29,30)31/h2-15H,16H2,1H3,(H4,32,33,34,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231488
PNG
(CHEMBL253214 | N-{2-[2-(4-ethoxy-phenyl)-5-phenyl-...)
Show SMILES CCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
Show InChI InChI=1S/C21H22N4O2/c1-2-27-17-10-8-16(9-11-17)19-13-12-18(15-6-4-3-5-7-15)25(19)14-20(26)24-21(22)23/h3-13H,2,14H2,1H3,(H4,22,23,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1063-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.010
BindingDB Entry DOI: 10.7270/Q22807CT
More data for this
Ligand-Target Pair