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PubMed code 26696252

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145903
PNG
(CHEMBL3763728)
Show SMILES O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-23,34H,24-25H2/b17-11+,18-12+,30-23-
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n/an/a 40n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145908
PNG
(CHEMBL3763318)
Show SMILES COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C21H20O4/c1-15-3-5-16(6-4-15)7-10-18(22)14-19(23)11-8-17-9-12-20(24)21(13-17)25-2/h3-14,23-24H,1-2H3/b10-7+,11-8+,19-14-
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n/an/a 140n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145900
PNG
(CHEMBL3765050)
Show SMILES O\C(\C=C\c1ccc(OCc2cc(F)cc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-19,38H,20-21H2/b7-1+,8-2+,30-19-
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n/an/a 390n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145902
PNG
(CHEMBL3764532)
Show SMILES O\C(\C=C\c1ccc(OCc2ccc(F)cc2F)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C33H24F4O4/c34-26-9-7-24(32(36)17-26)20-40-30-13-3-22(4-14-30)1-11-28(38)19-29(39)12-2-23-5-15-31(16-6-23)41-21-25-8-10-27(35)18-33(25)37/h1-19,38H,20-21H2/b11-1+,12-2+,28-19-
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n/an/a 400n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145906
PNG
(CHEMBL454662)
Show SMILES COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-15,22H,1-2H3/b9-3+,10-4+,18-15-
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n/an/a 530n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145910
PNG
(CHEMBL3765711)
Show SMILES Fc1cc(F)cc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4cc(F)cc(F)c4)cc3)cc2)c1
Show InChI InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-18H,19-21H2/b7-1+,8-2+
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n/an/a 730n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145909
PNG
(CHEMBL3763944)
Show SMILES COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C27H24O5/c1-31-27-17-21(11-16-26(27)30)8-13-24(29)18-23(28)12-7-20-9-14-25(15-10-20)32-19-22-5-3-2-4-6-22/h2-18,29-30H,19H2,1H3/b12-7+,13-8+,24-18-
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n/an/a 900n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145909
PNG
(CHEMBL3763944)
Show SMILES COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C27H24O5/c1-31-27-17-21(11-16-26(27)30)8-13-24(29)18-23(28)12-7-20-9-14-25(15-10-20)32-19-22-5-3-2-4-6-22/h2-18,29-30H,19H2,1H3/b12-7+,13-8+,24-18-
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n/an/a 970n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145912
PNG
(CHEMBL3765195)
Show SMILES Fc1ccc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4ccc(F)cc4F)cc3)cc2)c(F)c1
Show InChI InChI=1S/C33H24F4O4/c34-26-9-7-24(32(36)17-26)20-40-30-13-3-22(4-14-30)1-11-28(38)19-29(39)12-2-23-5-15-31(16-6-23)41-21-25-8-10-27(35)18-33(25)37/h1-18H,19-21H2/b11-1+,12-2+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145917
PNG
(CHEMBL3764465)
Show SMILES O\C(\C=C\c1ccc(OCc2ccc(F)cc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H26F2O4/c34-28-11-1-26(2-12-28)22-38-32-17-7-24(8-18-32)5-15-30(36)21-31(37)16-6-25-9-19-33(20-10-25)39-23-27-3-13-29(35)14-4-27/h1-21,36H,22-23H2/b15-5+,16-6+,30-21-
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n/an/a 1.04E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145916
PNG
(CHEMBL3763264)
Show SMILES O\C(\C=C\c1ccc(OCc2cccc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C33H26F2O4/c34-28-5-1-3-26(19-28)22-38-32-15-9-24(10-16-32)7-13-30(36)21-31(37)14-8-25-11-17-33(18-12-25)39-23-27-4-2-6-29(35)20-27/h1-21,36H,22-23H2/b13-7+,14-8+,30-21-
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n/an/a 1.08E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145906
PNG
(CHEMBL454662)
Show SMILES COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-15,22H,1-2H3/b9-3+,10-4+,18-15-
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n/an/a 1.65E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145904
PNG
(CHEMBL3765061)
Show SMILES O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(O)cc1
Show InChI InChI=1S/C26H22O4/c27-23-12-6-20(7-13-23)8-14-24(28)18-25(29)15-9-21-10-16-26(17-11-21)30-19-22-4-2-1-3-5-22/h1-18,27,29H,19H2/b14-8+,15-9+,25-18-
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n/an/a 2.01E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145908
PNG
(CHEMBL3763318)
Show SMILES COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C21H20O4/c1-15-3-5-16(6-4-15)7-10-18(22)14-19(23)11-8-17-9-12-20(24)21(13-17)25-2/h3-14,23-24H,1-2H3/b10-7+,11-8+,19-14-
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n/an/a 2.09E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145905
PNG
(CHEMBL3763815)
Show SMILES COc1ccc(\C=C\C(=O)\C=C(/O)\C=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H24O4/c1-30-26-15-9-21(10-16-26)7-13-24(28)19-25(29)14-8-22-11-17-27(18-12-22)31-20-23-5-3-2-4-6-23/h2-19,29H,20H2,1H3/b13-7+,14-8+,25-19-
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n/an/a 2.28E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145903
PNG
(CHEMBL3763728)
Show SMILES O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-23,34H,24-25H2/b17-11+,18-12+,30-23-
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n/an/a 2.49E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145907
PNG
(CHEMBL131770)
Show SMILES O\C(\C=C\c1ccc(O)cc1)=C/C(=O)/C=C/c1ccc(O)cc1
Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13-
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n/an/a 2.54E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145904
PNG
(CHEMBL3765061)
Show SMILES O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(O)cc1
Show InChI InChI=1S/C26H22O4/c27-23-12-6-20(7-13-23)8-14-24(28)18-25(29)15-9-21-10-16-26(17-11-21)30-19-22-4-2-1-3-5-22/h1-18,27,29H,19H2/b14-8+,15-9+,25-18-
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n/an/a 2.69E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145905
PNG
(CHEMBL3763815)
Show SMILES COc1ccc(\C=C\C(=O)\C=C(/O)\C=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H24O4/c1-30-26-15-9-21(10-16-26)7-13-24(28)19-25(29)14-8-22-11-17-27(18-12-22)31-20-23-5-3-2-4-6-23/h2-19,29H,20H2,1H3/b13-7+,14-8+,25-19-
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n/an/a 2.78E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50059982
PNG
((1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 |w:6.5,14.14|
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145913
PNG
(CHEMBL3765319)
Show SMILES O=C(CC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-22H,23-25H2/b17-11+,18-12+
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n/an/a 5.56E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50145913
PNG
(CHEMBL3765319)
Show SMILES O=C(CC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-22H,23-25H2/b17-11+,18-12+
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n/an/a 6.04E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145900
PNG
(CHEMBL3765050)
Show SMILES O\C(\C=C\c1ccc(OCc2cc(F)cc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-19,38H,20-21H2/b7-1+,8-2+,30-19-
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n/an/a 8.30E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145907
PNG
(CHEMBL131770)
Show SMILES O\C(\C=C\c1ccc(O)cc1)=C/C(=O)/C=C/c1ccc(O)cc1
Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13-
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n/an/a 8.39E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145912
PNG
(CHEMBL3765195)
Show SMILES Fc1ccc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4ccc(F)cc4F)cc3)cc2)c(F)c1
Show InChI InChI=1S/C33H24F4O4/c34-26-9-7-24(32(36)17-26)20-40-30-13-3-22(4-14-30)1-11-28(38)19-29(39)12-2-23-5-15-31(16-6-23)41-21-25-8-10-27(35)18-33(25)37/h1-18H,19-21H2/b11-1+,12-2+
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n/an/a 9.06E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145902
PNG
(CHEMBL3764532)
Show SMILES O\C(\C=C\c1ccc(OCc2ccc(F)cc2F)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C33H24F4O4/c34-26-9-7-24(32(36)17-26)20-40-30-13-3-22(4-14-30)1-11-28(38)19-29(39)12-2-23-5-15-31(16-6-23)41-21-25-8-10-27(35)18-33(25)37/h1-19,38H,20-21H2/b11-1+,12-2+,28-19-
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n/an/a 9.63E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145910
PNG
(CHEMBL3765711)
Show SMILES Fc1cc(F)cc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4cc(F)cc(F)c4)cc3)cc2)c1
Show InChI InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-18H,19-21H2/b7-1+,8-2+
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n/an/a 9.66E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145917
PNG
(CHEMBL3764465)
Show SMILES O\C(\C=C\c1ccc(OCc2ccc(F)cc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H26F2O4/c34-28-11-1-26(2-12-28)22-38-32-17-7-24(8-18-32)5-15-30(36)21-31(37)16-6-25-9-19-33(20-10-25)39-23-27-3-13-29(35)14-4-27/h1-21,36H,22-23H2/b15-5+,16-6+,30-21-
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n/an/a 1.28E+4n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50059982
PNG
((1E,6E)-1,7-Bis-(4-methoxy-phenyl)-hepta-1,6-diene...)
Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 |w:6.5,14.14|
Show InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50145916
PNG
(CHEMBL3763264)
Show SMILES O\C(\C=C\c1ccc(OCc2cccc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C33H26F2O4/c34-28-5-1-3-26(19-28)22-38-32-15-9-24(10-16-32)7-13-30(36)21-31(37)14-8-25-11-17-33(18-12-25)39-23-27-4-2-6-29(35)20-27/h1-21,36H,22-23H2/b13-7+,14-8+,30-21-
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n/an/a 1.70E+4n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 3.43E+5n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...

J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%