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6 similar compounds to monomer 50314995

Wt: 512.9
BDBM50314993
Wt: 442.9
BDBM50315004
Wt: 445.9
BDBM50315005
Wt: 519.0
BDBM50315008
Wt: 431.9
BDBM50315018
Wt: 417.9
BDBM50315019

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50314993,50315004,50315005,50315008,50315018,50315019   
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))
BDBM50314993
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34)
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n/an/an/an/a 190n/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))
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


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
Cathepsin D


(Homo sapiens (human))
BDBM50315008
PNG
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1
Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34)
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n/an/a 470n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


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


(Homo sapiens (human))
BDBM50315008
PNG
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1
Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34)
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n/an/a 470n/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))
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-secretase (BACE)


(Homo sapiens (Human))
BDBM50314993
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34)
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n/an/a 70n/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))
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50315008
PNG
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1
Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34)
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n/an/a 220n/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))
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-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


Citation and Details
More data for this
Ligand-Target Pair