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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
(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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(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


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(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


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(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


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair