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Patent code US10100048

Compile Data Set for Download or QSAR
Found 7 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
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292097
PNG
(3-(5-Hydroxy-5,6,7,8-tetrahydroquinolin-2-yl)-2-ox...)
Show SMILES OC1CCCc2nc(ccc12)C1C(=O)Nc2ccc(cc12)C#N
Show InChI InChI=1S/C18H15N3O2/c19-9-10-4-6-14-12(8-10)17(18(23)21-14)15-7-5-11-13(20-15)2-1-3-16(11)22/h4-8,16-17,22H,1-3H2,(H,21,23)
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US Patent
n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292099
PNG
(2-Oxo-3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)...)
Show SMILES O=C1Nc2ccc(cc2C1c1ccc2CNCCc2n1)C#N
Show InChI InChI=1S/C17H14N4O/c18-8-10-1-3-14-12(7-10)16(17(22)21-14)15-4-2-11-9-19-6-5-13(11)20-15/h1-4,7,16,19H,5-6,9H2,(H,21,22)
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US Patent
n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292103
PNG
(US10100048, Example 6)
Show SMILES COC1CCCc2nc(ccc12)C1C(=O)Nc2ccc(cc12)C#N
Show InChI InChI=1S/C19H17N3O2/c1-24-17-4-2-3-14-12(17)6-8-16(21-14)18-13-9-11(10-20)5-7-15(13)22-19(18)23/h5-9,17-18H,2-4H2,1H3,(H,22,23)
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US Patent
n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292101
PNG
(2-Hydroxy-3-(8-hydroxy-5,6,7,8-tetrahydroquinolin-...)
Show SMILES OC1CCCc2ccc(nc12)C1C(=O)Nc2ccc(cc12)C#N
Show InChI InChI=1S/C18H15N3O2/c19-9-10-4-6-13-12(8-10)16(18(23)21-13)14-7-5-11-2-1-3-15(22)17(11)20-14/h4-8,15-16,22H,1-3H2,(H,21,23)
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n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292100
PNG
(2-Hydroxy-3-(5-oxo-5,6,7,8-tetrahydroquinolin-2-yl...)
Show SMILES O=C1Nc2ccc(cc2C1c1ccc2C(=O)CCCc2n1)C#N
Show InChI InChI=1S/C18H13N3O2/c19-9-10-4-6-14-12(8-10)17(18(23)21-14)15-7-5-11-13(20-15)2-1-3-16(11)22/h4-8,17H,1-3H2,(H,21,23)
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US Patent
n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292102
PNG
(3-(6,7-Dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)-2-ox...)
Show SMILES O=C1Nc2ccc(cc2C1c1ccc2CNCc2n1)C#N
Show InChI InChI=1S/C16H12N4O/c17-6-9-1-3-12-11(5-9)15(16(21)20-12)13-4-2-10-7-18-8-14(10)19-13/h1-5,15,18H,7-8H2,(H,20,21)
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US Patent
n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM292098
PNG
(US10100048, Example 2.2)
Show SMILES CC(C)(C)OC(=O)N1CCc2nc(ccc2C1)C1C(=O)Nc2ccc(cc12)C#N
Show InChI InChI=1S/C22H22N4O3/c1-22(2,3)29-21(28)26-9-8-16-14(12-26)5-7-18(24-16)19-15-10-13(11-23)4-6-17(15)25-20(19)27/h4-7,10,19H,8-9,12H2,1-3H3,(H,25,27)
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US Patent
n/an/a<100n/an/an/an/an/a25



ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3β) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(...


US Patent US10100048 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%