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6 similar compounds to monomer 50314996

Wt: 513.9
BDBM50314994
Wt: 442.9
BDBM50315004
Wt: 445.9
BDBM50315005
Wt: 452.9
BDBM50315012
Wt: 431.9
BDBM50315018
Wt: 417.9
BDBM50315019

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50314994,50315004,50315005,50315012,50315018,50315019   
Target
(Institution)
LigandTarget
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 amyloid A4 protein


(Homo sapiens (human))
BDBM50314994
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33)
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n/an/an/an/a 440n/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))
BDBM50315004
PNG
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30)
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n/an/an/an/a 5.20E+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-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM50315004
PNG
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30)
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n/an/a 7.10E+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 (BACE)


(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-secretase (BACE)


(Homo sapiens (Human))
BDBM50315004
PNG
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30)
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n/an/a 420n/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
3D
3D Structure (crystal)
Beta-secretase (BACE)


(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 (BACE)


(Homo sapiens (Human))
BDBM50314994
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33)
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n/an/a 40n/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 (BACE)


(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 (BACE)


(Homo sapiens (Human))
BDBM50315012
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-3-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnc3)cc2)n1
Show InChI InChI=1S/C27H21ClN4O/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-20-5-3-9-27(29)31-20)19-10-12-21(13-11-19)33-22-6-4-16-30-17-22/h1-17H,18H2,(H2,29,31)
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n/an/a 410n/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