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8 similar compounds to monomer 50315004

Wt: 505.0
BDBM50314995
Wt: 506.0
BDBM50314996
Wt: 452.9
BDBM50315001
Wt: 451.9
BDBM50315002
Wt: 445.9
BDBM50315005
Wt: 389.8
BDBM50315006
Wt: 431.9
BDBM50315018
Wt: 417.9
BDBM50315019

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50314995,50314996,50315001,50315002,50315005,50315006,50315018,50315019   
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))
BDBM50315006
PNG
(6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrr...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM50314995
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50314995
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)
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n/an/a 170n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315002
PNG
(6-((2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrr...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31)
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n/an/a 850n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315018
PNG
(6-((2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrro...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C26H26ClN3O/c1-2-3-17-31-21-13-11-19(12-14-21)24-15-16-25(22-8-4-5-9-23(22)27)30(24)18-20-7-6-10-26(28)29-20/h4-16H,2-3,17-18H2,1H3,(H2,28,29)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315001
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
Show InChI InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31)
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n/an/a 590n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315005
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)
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n/an/a 550n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315019
PNG
(6-((2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrr...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C25H24ClN3O/c1-2-16-30-20-12-10-18(11-13-20)23-14-15-24(21-7-3-4-8-22(21)26)29(23)17-19-6-5-9-25(27)28-19/h3-15H,2,16-17H2,1H3,(H2,27,28)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314995
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314996
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1
Show InChI InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26-14-15-27(24-7-4-5-8-25(24)30)33(26)20-22-11-16-28(29(31)32-22)36-19-17-34/h4-5,7-16,34H,2-3,6,17-20H2,1H3,(H2,31,32)
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n/an/an/an/a 1.36E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315001
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
Show InChI InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315002
PNG
(6-((2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrr...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31)
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n/an/an/an/a 9.20E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315005
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315006
PNG
(6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrr...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50314996
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1
Show InChI InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26-14-15-27(24-7-4-5-8-25(24)30)33(26)20-22-11-16-28(29(31)32-22)36-19-17-34/h4-5,7-16,34H,2-3,6,17-20H2,1H3,(H2,31,32)
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n/an/a 110n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair