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Compile Data Set for Download or QSAR

Found 345 hits with Last Name = 'saito' and Initial = 'k'   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269429
PNG
(CHEMBL4084855)
Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269428
PNG
(CHEMBL4063206)
Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269437
PNG
(CHEMBL4077376)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r|
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
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n/an/a 0.25n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
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Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H
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n/an/a 0.400n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269438
PNG
(CHEMBL4076060)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H
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n/an/a 0.400n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269443
PNG
(CHEMBL4095848)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269440
PNG
(CHEMBL4065818)
Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269492
PNG
(CHEMBL4067532)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13/h2-6,9-10,12,17,22H,7-8,11H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182869
PNG
(CHEMBL439521 | N-((S)-2-amino-3-((S)-1-((S)-1-((2S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1643-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.056
BindingDB Entry DOI: 10.7270/Q2J38S96
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182869
PNG
(CHEMBL439521 | N-((S)-2-amino-3-((S)-1-((S)-1-((2S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 16: 2380-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.108
BindingDB Entry DOI: 10.7270/Q2TD9WXG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269439
PNG
(CHEMBL4077048)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H21ClN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269452
PNG
(CHEMBL4105346)
Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@H](C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H19ClN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H/t17-;/m1./s1
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Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182869
PNG
(CHEMBL439521 | N-((S)-2-amino-3-((S)-1-((S)-1-((2S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1649-53 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269426
PNG
(CHEMBL3719193)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



RIKEN Center for Sustainable Resource Science

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin) using 3-Hydroxybutylyl-Gly-Gly-Gly substrate assessed as reduction in 3-Hyroxybutylic acid generation incubated fo...


J Nat Prod 78: 1179-83 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00092
BindingDB Entry DOI: 10.7270/Q28W3G2W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269494
PNG
(CHEMBL4104714)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13/h2-7,10,12,17,22H,8-9,11H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269485
PNG
(CHEMBL4071429)
Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H20F2N6O2.ClH/c1-27-18(29)9-15(14-3-4-23-11-25-14)26-20(27)28-6-5-24-16(10-28)19-13(22)7-12(21)8-17(19)30-2;/h3-4,7-9,11,16,24H,5-6,10H2,1-2H3;1H
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n/an/a 1.70n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269472
PNG
(CHEMBL4065624)
Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-16(15-7-8-21-13-23-15)24-20(25)26-10-9-22-17(12-26)14-5-3-4-6-18(14)28-2;/h3-8,11,13,17,22H,9-10,12H2,1-2H3;1H
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n/an/a 1.80n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269471
PNG
(CHEMBL4085821)
Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-17(15-7-9-22-10-8-15)24-21(25)26-12-11-23-18(14-26)16-5-3-4-6-19(16)28-2;/h3-10,13,18,23H,11-12,14H2,1-2H3;1H
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n/an/a 1.80n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269484
PNG
(CHEMBL4098458)
Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H21F2N5O2.ClH/c1-27-19(29)11-16(13-3-5-24-6-4-13)26-21(27)28-8-7-25-17(12-28)20-15(23)9-14(22)10-18(20)30-2;/h3-6,9-11,17,25H,7-8,12H2,1-2H3;1H
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n/an/a 2n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269464
PNG
(CHEMBL4088777)
Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Br)c1
Show InChI InChI=1S/C19H19BrN6O.ClH/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13;/h2-6,9-10,12,17,22H,7-8,11H2,1H3;1H
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n/an/a 2n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269431
PNG
(CHEMBL4074586)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-4-16(10-17)12-22)8-9-28(15)21-25-19(11-20(29)26(21)2)18-6-7-23-14-24-18/h3-7,10-11,14-15H,8-9,13H2,1-2H3/t15-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269457
PNG
(CHEMBL4072455)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N6O/c1-26-18(28)9-16(15-4-5-22-11-24-15)25-19(26)27-7-6-23-17(10-27)12-2-3-13(20)14(21)8-12/h2-5,8-9,11,17,23H,6-7,10H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269489
PNG
(CHEMBL4073837)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Cl
Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269413
PNG
(CHEMBL4093559)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-16(12-22)4-6-17)9-10-28(15)21-25-19(11-20(29)26(21)2)18-7-8-23-14-24-18/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064157
PNG
(CHEMBL3401132)
Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50188338
PNG
(CHEMBL411711 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C36H48N14O6/c1-20(2)28(42-32(52)25(37)19-38-36(56)31-45-49-50-46-31)34(54)41-27(17-22-12-7-4-8-13-22)33(53)40-26(16-21-10-5-3-6-11-21)29(51)35(55)39-24-15-9-14-23(18-24)30-43-47-48-44-30/h3,5-6,9-11,14-15,18,20,22,25-29,51H,4,7-8,12-13,16-17,19,37H2,1-2H3,(H,38,56)(H,39,55)(H,40,53)(H,41,54)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1


Bioorg Med Chem Lett 16: 4354-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.046
BindingDB Entry DOI: 10.7270/Q26M36F4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269493
PNG
(CHEMBL4096472)
Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-17(16-7-8-21-13-23-16)24-20(25)26-10-9-22-18(12-26)14-3-5-15(28-2)6-4-14;/h3-8,11,13,18,22H,9-10,12H2,1-2H3;1H
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n/an/a 3.5n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064156
PNG
(CHEMBL3401131)
Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269415
PNG
(CHEMBL4065956)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1 |r|
Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50157441
PNG
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1649-53 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50157441
PNG
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 16: 2380-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.108
BindingDB Entry DOI: 10.7270/Q2TD9WXG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269416
PNG
(CHEMBL4067170)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccnc1 |r|
Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-4-3-6-20-11-15)8-9-26(14)19-23-17(10-18(27)24(19)2)16-5-7-21-13-22-16/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50157441
PNG
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1643-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.056
BindingDB Entry DOI: 10.7270/Q2J38S96
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269417
PNG
(CHEMBL4093930)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccn1 |r|
Show InChI InChI=1S/C19H21N7O/c1-14-12-25(17-5-3-4-7-21-17)9-10-26(14)19-23-16(11-18(27)24(19)2)15-6-8-20-13-22-15/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269430
PNG
(CHEMBL4101293)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1C#N |r|
Show InChI InChI=1S/C21H21N7O/c1-15-13-27(19-6-4-3-5-16(19)12-22)9-10-28(15)21-25-18(11-20(29)26(21)2)17-7-8-23-14-24-17/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064154
PNG
(CHEMBL3401129)
Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269490
PNG
(CHEMBL4100923)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2N5O/c1-26-19(28)11-17(13-4-6-23-7-5-13)25-20(26)27-9-8-24-18(12-27)14-2-3-15(21)16(22)10-14/h2-7,10-11,18,24H,8-9,12H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269456
PNG
(CHEMBL4089702)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Br
Show InChI InChI=1S/C19H19BrN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50579915
PNG
(CHEMBL4442570)
Show SMILES CN(C)C(=O)CCCc1ccc(Oc2cc(C)nc3sc(C(N)=O)c(N)c23)c(F)c1
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8 in human HEK293 cells measured by NanoBRET assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128440
BindingDB Entry DOI: 10.7270/Q2PK0M1K
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269465
PNG
(CHEMBL4078436)
Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-18(16-7-9-22-10-8-16)24-21(25)26-12-11-23-19(14-26)15-3-5-17(28-2)6-4-15;/h3-10,13,19,23H,11-12,14H2,1-2H3;1H
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n/an/a 4.70n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182871
PNG
(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 16: 2380-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.108
BindingDB Entry DOI: 10.7270/Q2TD9WXG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182871
PNG
(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1


Bioorg Med Chem Lett 16: 4354-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.046
BindingDB Entry DOI: 10.7270/Q26M36F4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182871
PNG
(CHEMBL381826 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Bioorg Med Chem Lett 18: 1643-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.056
BindingDB Entry DOI: 10.7270/Q2J38S96
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269459
PNG
(CHEMBL4062791)
Show SMILES COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C22H25N5O3/c1-26-21(28)13-17(15-6-8-23-9-7-15)25-22(26)27-11-10-24-18(14-27)16-4-5-19(29-2)20(12-16)30-3/h4-9,12-13,18,24H,10-11,14H2,1-3H3
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n/an/a 5.20n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269463
PNG
(CHEMBL4080891)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(14-5-7-22-8-6-14)24-20(25)26-10-9-23-18(13-26)15-3-2-4-16(21)11-15/h2-8,11-12,18,23H,9-10,13H2,1H3
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n/an/a 5.40n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
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