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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'urich' and Initial = 'r'   
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


(Homo sapiens (Human))
BDBM50025652
PNG
(CHEMBL3335153)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(o1)-c1ccccc1 |r,wU:5.8,wD:2.1,(22.74,-5.31,;21.2,-5.3,;20.43,-6.63,;18.88,-6.62,;18.1,-7.95,;18.87,-9.28,;20.41,-9.29,;21.18,-7.97,;18.09,-10.61,;16.55,-10.6,;15.79,-9.27,;15.78,-11.93,;16.3,-13.39,;15.07,-14.32,;13.8,-13.45,;14.24,-11.98,;13.46,-10.66,;11.92,-10.67,;11.16,-12.01,;11.13,-9.35,;11.75,-7.93,;10.6,-6.91,;9.28,-7.7,;9.61,-9.2,;7.85,-7.08,;7.67,-5.54,;6.25,-4.92,;5,-5.85,;5.18,-7.39,;6.6,-8.01,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025648
PNG
(CHEMBL3335149)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc2ccccc2o1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.52,;33.21,-20.02,;31.86,-19.26,;31.85,-17.72,;33.17,-16.94,;34.51,-17.69,;34.53,-19.23,;35.69,-20.25,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025650
PNG
(CHEMBL3335151)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cnc2ccccn12 |r,wU:5.8,wD:2.1,(22.75,-5.31,;21.21,-5.3,;20.43,-6.63,;18.89,-6.62,;18.11,-7.95,;18.88,-9.28,;20.42,-9.29,;21.19,-7.97,;18.1,-10.61,;16.56,-10.61,;15.8,-9.27,;15.79,-11.94,;16.3,-13.39,;15.08,-14.33,;13.81,-13.46,;14.25,-11.99,;13.46,-10.66,;11.92,-10.68,;11.17,-12.02,;11.14,-9.35,;11.76,-7.93,;10.6,-6.92,;9.28,-7.7,;7.82,-7.24,;6.69,-8.28,;7.03,-9.79,;8.49,-10.24,;9.61,-9.2,)|
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025647
PNG
(CHEMBL3335148)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(cc1)N1CCN(C)CC1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.69,;32.76,-20.37,;33.51,-19.02,;35.05,-19,;35.84,-20.33,;32.73,-17.69,;33.48,-16.35,;32.69,-15.03,;31.15,-15.04,;30.37,-13.72,;30.4,-16.39,;31.19,-17.71,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025646
PNG
(CHEMBL3335147)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(cc1)N1CCCC1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.69,;32.76,-20.37,;33.51,-19.02,;35.05,-19,;35.84,-20.33,;32.73,-17.69,;33.33,-16.28,;32.18,-15.26,;30.85,-16.05,;31.19,-17.55,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025645
PNG
(CHEMBL3335146)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(OC(F)F)cc1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.69,;32.76,-20.37,;33.51,-19.02,;32.73,-17.69,;33.48,-16.35,;32.69,-15.03,;35.02,-16.33,;35.05,-19,;35.84,-20.33,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025644
PNG
(CHEMBL3335145)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc(Cl)cc(Cl)c1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;35.84,-20.33,;35.05,-19,;35.81,-17.66,;33.51,-19.02,;32.76,-20.37,;31.22,-20.39,;33.54,-21.69,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025643
PNG
(CHEMBL3335144)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc(F)cc(F)c1 |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;12.06,-21.79,;11.27,-20.47,;9.71,-20.49,;12.02,-19.12,;13.57,-19.1,;14.33,-17.75,;14.35,-20.43,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025642
PNG
(CHEMBL3335143)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(F)cc1F |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.24,-17.79,;11.27,-20.47,;12.06,-21.79,;11.31,-23.13,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025628
PNG
(CHEMBL3335124)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1 |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.27,-20.47,;12.06,-21.79,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025634
PNG
(CHEMBL3335125)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1F |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.27,-20.47,;12.06,-21.79,;11.3,-23.15,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025649
PNG
(CHEMBL3335150)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc2ccccn2n1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.52,;33.21,-20.02,;31.86,-19.26,;31.85,-17.72,;33.17,-16.94,;34.51,-17.69,;34.53,-19.23,;35.69,-20.25,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025640
PNG
(CHEMBL3335141)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(OC)cccc1OC |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;12.06,-21.79,;11.3,-23.15,;12.1,-24.48,;11.27,-20.47,;12.02,-19.12,;13.57,-19.1,;14.35,-20.43,;15.9,-20.41,;16.67,-19.06,)|
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025653
PNG
(CHEMBL3335154)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ncoc1-c1ccccc1 |r,wU:5.8,wD:2.1,(22.74,-5.31,;21.2,-5.3,;20.43,-6.63,;18.88,-6.62,;18.1,-7.95,;18.87,-9.28,;20.41,-9.29,;21.18,-7.97,;18.09,-10.61,;16.55,-10.6,;15.79,-9.27,;15.78,-11.93,;16.3,-13.39,;15.07,-14.32,;13.8,-13.45,;14.24,-11.98,;13.46,-10.66,;11.92,-10.67,;11.16,-12.01,;11.13,-9.35,;11.75,-7.93,;10.6,-6.91,;9.28,-7.7,;9.61,-9.2,;8.51,-10.3,;7.01,-9.9,;5.91,-10.99,;6.31,-12.5,;7.81,-12.9,;8.91,-11.8,)|
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n/an/a 5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025631
PNG
(CHEMBL3335119)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)C1CCC(F)(F)CC1 |r,wU:5.8,wD:2.1,(18.39,-5.49,;16.85,-5.48,;16.07,-6.81,;14.53,-6.8,;13.74,-8.13,;14.51,-9.46,;16.05,-9.47,;16.83,-8.15,;13.74,-10.79,;12.2,-10.78,;11.43,-9.45,;11.42,-12.12,;11.94,-13.57,;10.71,-14.51,;9.44,-13.64,;9.88,-12.16,;9.1,-10.84,;7.56,-10.85,;6.8,-12.2,;6.77,-9.53,;7.53,-8.18,;6.75,-6.86,;5.21,-6.87,;5.2,-5.33,;3.87,-6.11,;4.45,-8.21,;5.23,-9.54,)|
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025630
PNG
(CHEMBL3335120)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)C1CCOCC1 |r,wU:5.8,wD:2.1,(18.39,-5.49,;16.85,-5.48,;16.07,-6.81,;14.53,-6.8,;13.74,-8.13,;14.51,-9.46,;16.05,-9.47,;16.83,-8.15,;13.74,-10.79,;12.2,-10.78,;11.43,-9.45,;11.42,-12.12,;11.94,-13.57,;10.71,-14.51,;9.44,-13.64,;9.88,-12.16,;9.1,-10.84,;7.56,-10.86,;6.8,-12.2,;6.77,-9.53,;7.53,-8.18,;6.75,-6.86,;5.21,-6.87,;4.45,-8.21,;5.23,-9.54,)|
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025635
PNG
(CHEMBL3335126)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1C(F)(F)F |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.27,-20.47,;12.06,-21.79,;11.3,-23.14,;12.1,-24.48,;9.74,-23.17,;10.52,-24.49,)|
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n/an/a<13n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025637
PNG
(CHEMBL3335128)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1OC |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.27,-20.47,;12.06,-21.79,;11.3,-23.15,;12.1,-24.48,)|
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n/an/a<13n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025636
PNG
(CHEMBL3335127)
Show SMILES CCc1ccccc1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CC[C@@H](CC1)OC |r,wU:19.20,wD:22.27,(12.1,-24.48,;11.3,-23.14,;12.06,-21.79,;11.27,-20.47,;12.02,-19.12,;13.57,-19.1,;14.35,-20.43,;13.59,-21.76,;14.37,-23.09,;13.62,-24.43,;15.91,-23.07,;16.7,-24.4,;16.26,-25.87,;17.53,-26.74,;18.75,-25.81,;18.23,-24.35,;19.01,-23.02,;18.24,-21.68,;20.55,-23.02,;21.32,-21.69,;20.56,-20.36,;21.34,-19.03,;22.88,-19.04,;23.64,-20.38,;22.87,-21.7,;23.66,-17.71,;25.2,-17.72,)|
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n/an/a 20n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025638
PNG
(CHEMBL3335129)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1Nc1ccccc1 |r,wU:5.8,wD:2.1,(25.19,-17.72,;23.65,-17.71,;22.87,-19.03,;21.33,-19.02,;20.55,-20.36,;21.31,-21.68,;22.86,-21.7,;23.63,-20.37,;20.54,-23.01,;19,-23.01,;18.24,-21.67,;18.23,-24.34,;18.74,-25.79,;17.52,-26.73,;16.25,-25.86,;16.69,-24.39,;15.91,-23.06,;14.37,-23.08,;13.61,-24.42,;13.58,-21.75,;14.34,-20.42,;13.56,-19.09,;12.02,-19.11,;11.26,-20.46,;12.05,-21.78,;11.29,-23.13,;9.74,-23.16,;8.94,-21.82,;7.39,-21.85,;6.63,-23.2,;7.43,-24.54,;8.98,-24.51,)|
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n/an/a 20n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025657
PNG
(CHEMBL3335158)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C20H26N4O4/c1-27-15-10-7-11-16(28-2)17(15)19(25)23-14-12-21-24-18(14)20(26)22-13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
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n/an/a 20n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025639
PNG
(CHEMBL3335140)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1Nc1cccc(C)c1C |r,wU:5.8,wD:2.1,(25.18,-17.71,;23.64,-17.7,;22.86,-19.02,;21.32,-19.01,;20.54,-20.34,;21.3,-21.67,;22.84,-21.68,;23.62,-20.36,;20.53,-23,;18.99,-23,;18.23,-21.66,;18.22,-24.33,;18.73,-25.78,;17.51,-26.72,;16.24,-25.85,;16.68,-24.37,;15.9,-23.05,;14.36,-23.07,;13.6,-24.41,;13.57,-21.74,;14.33,-20.41,;13.55,-19.08,;12.01,-19.1,;11.26,-20.45,;12.04,-21.77,;11.29,-23.12,;9.73,-23.15,;8.94,-21.81,;7.39,-21.83,;6.63,-23.19,;7.42,-24.52,;6.67,-25.88,;8.98,-24.5,;9.77,-25.84,)|
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n/an/a 30n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025651
PNG
(CHEMBL3335152)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(C)nc2ccccn12 |r,wU:5.8,wD:2.1,(22.75,-5.31,;21.21,-5.3,;20.43,-6.63,;18.89,-6.62,;18.11,-7.95,;18.88,-9.28,;20.42,-9.29,;21.19,-7.97,;18.1,-10.61,;16.56,-10.61,;15.79,-9.27,;15.79,-11.94,;16.3,-13.39,;15.08,-14.33,;13.81,-13.46,;14.25,-11.99,;13.46,-10.66,;11.92,-10.68,;11.17,-12.02,;11.14,-9.35,;11.76,-7.93,;13.28,-7.6,;10.6,-6.91,;9.28,-7.7,;7.82,-7.24,;6.69,-8.28,;7.03,-9.79,;8.49,-10.24,;9.61,-9.2,)|
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n/an/a 42n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025656
PNG
(CHEMBL3335157)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H24N4O4/c1-26-14-9-6-10-15(27-2)16(14)18(24)22-13-11-20-23-17(13)19(25)21-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 50n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025665
PNG
(CHEMBL3335168)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:21.22,(5.66,-21.58,;7.2,-21.55,;7.95,-20.21,;7.16,-18.89,;7.92,-17.54,;9.46,-17.52,;10.24,-18.85,;11.78,-18.83,;12.54,-17.49,;9.48,-20.19,;10.27,-21.51,;9.51,-22.85,;11.81,-21.49,;12.59,-22.82,;12.15,-24.29,;13.42,-25.16,;14.65,-24.23,;14.13,-22.77,;14.9,-21.44,;14.14,-20.1,;16.44,-21.45,;17.22,-20.11,;18.76,-20.13,;19.53,-18.81,;18.77,-17.47,;19.55,-16.14,;17.23,-17.46,;16.45,-18.79,)|
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n/an/a 70n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025662
PNG
(CHEMBL3335165)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H18N4O4/c1-26-14-9-6-10-15(27-2)16(14)18(24)22-13-11-20-23-17(13)19(25)21-12-7-4-3-5-8-12/h3-11H,1-2H3,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 70n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025667
PNG
(CHEMBL3335170)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 80n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025655
PNG
(CHEMBL3335156)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCC1
Show InChI InChI=1S/C17H20N4O4/c1-24-12-7-4-8-13(25-2)14(12)16(22)20-11-9-18-21-15(11)17(23)19-10-5-3-6-10/h4,7-10H,3,5-6H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)
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n/an/a 80n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025641
PNG
(CHEMBL3335142)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(OC)cc(OC)cc1OC |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.7,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.23,-24.35,;18.75,-25.8,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;12.06,-21.79,;11.3,-23.14,;12.09,-24.48,;11.27,-20.47,;12.02,-19.12,;11.23,-17.78,;9.68,-17.8,;13.56,-19.1,;14.35,-20.42,;15.9,-20.41,;16.67,-19.06,)|
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n/an/a 90n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025669
PNG
(CHEMBL3335172)
Show SMILES CCCCCNC(=O)c1n[nH]cc1NC(=O)c1c(OC)cccc1OC
Show InChI InChI=1S/C18H24N4O4/c1-4-5-6-10-19-18(24)16-12(11-20-22-16)21-17(23)15-13(25-2)8-7-9-14(15)26-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,24)(H,20,22)(H,21,23)
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n/an/a 100n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025663
PNG
(CHEMBL3335166)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C18H17N5O4/c1-26-13-4-3-5-14(27-2)15(13)17(24)22-12-10-20-23-16(12)18(25)21-11-6-8-19-9-7-11/h3-10H,1-2H3,(H,20,23)(H,22,24)(H,19,21,25)
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n/an/a 120n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025633
PNG
(CHEMBL3335121)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)Cc1ccccc1F |r,wU:5.8,wD:2.1,(18.39,-5.49,;16.85,-5.48,;16.07,-6.81,;14.53,-6.8,;13.74,-8.13,;14.51,-9.46,;16.05,-9.47,;16.83,-8.15,;13.74,-10.79,;12.2,-10.78,;11.43,-9.45,;11.42,-12.12,;11.94,-13.57,;10.72,-14.51,;9.45,-13.64,;9.88,-12.16,;9.1,-10.84,;7.56,-10.86,;6.8,-12.2,;6.78,-9.53,;5.24,-9.55,;4.46,-8.22,;2.92,-8.24,;2.16,-9.58,;2.95,-10.91,;4.49,-10.89,;5.28,-12.21,)|
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n/an/a 140n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025666
PNG
(CHEMBL3335169)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H31N5O6/c1-23(2,3)34-22(31)28-11-9-14(10-12-28)25-21(30)19-15(13-24-27-19)26-20(29)18-16(32-4)7-6-8-17(18)33-5/h6-8,13-14H,9-12H2,1-5H3,(H,24,27)(H,25,30)(H,26,29)
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n/an/a 140n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025629
PNG
(CHEMBL3335123)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)Cc1c(Cl)cccc1Cl |r,wU:5.8,wD:2.1,(18.39,-5.49,;16.85,-5.48,;16.07,-6.81,;14.53,-6.8,;13.74,-8.13,;14.51,-9.46,;16.05,-9.47,;16.83,-8.15,;13.74,-10.79,;12.2,-10.78,;11.43,-9.45,;11.42,-12.12,;11.94,-13.57,;10.72,-14.51,;9.45,-13.64,;9.88,-12.16,;9.1,-10.84,;7.56,-10.86,;6.8,-12.2,;6.77,-9.53,;5.23,-9.55,;4.49,-10.89,;5.28,-12.21,;2.95,-10.91,;2.16,-9.58,;2.92,-8.24,;4.46,-8.22,;5.22,-6.87,)|
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n/an/a 200n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025632
PNG
(CHEMBL3335122)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)Cc1ccccc1OC |r,wU:5.8,wD:2.1,(18.39,-5.49,;16.85,-5.48,;16.07,-6.81,;14.53,-6.8,;13.74,-8.13,;14.51,-9.46,;16.05,-9.47,;16.83,-8.15,;13.74,-10.79,;12.2,-10.78,;11.43,-9.45,;11.42,-12.12,;11.94,-13.57,;10.72,-14.51,;9.45,-13.64,;9.88,-12.16,;9.1,-10.84,;7.56,-10.86,;6.8,-12.2,;6.77,-9.53,;5.23,-9.55,;4.46,-8.22,;2.92,-8.24,;2.16,-9.58,;2.95,-10.91,;4.49,-10.89,;5.28,-12.21,;4.5,-13.55,)|
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n/an/a 210n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025654
PNG
(CHEMBL3335155)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CC1
Show InChI InChI=1S/C16H18N4O4/c1-23-11-4-3-5-12(24-2)13(11)15(21)19-10-8-17-20-14(10)16(22)18-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)
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n/an/a 220n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025668
PNG
(CHEMBL3335171)
Show SMILES COCCNC(=O)c1n[nH]cc1NC(=O)c1c(OC)cccc1OC
Show InChI InChI=1S/C16H20N4O5/c1-23-8-7-17-16(22)14-10(9-18-20-14)19-15(21)13-11(24-2)5-4-6-12(13)25-3/h4-6,9H,7-8H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
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n/an/a 300n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025660
PNG
(CHEMBL3335162)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ccccn1
Show InChI InChI=1S/C19H19N5O4/c1-27-14-7-5-8-15(28-2)16(14)18(25)23-13-11-22-24-17(13)19(26)21-10-12-6-3-4-9-20-12/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
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n/an/a 320n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025659
PNG
(CHEMBL3335161)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H20N4O4/c1-27-15-9-6-10-16(28-2)17(15)19(25)23-14-12-22-24-18(14)20(26)21-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
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n/an/a 330n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 450n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025658
PNG
(CHEMBL3335160)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NN1CCOCC1
Show InChI InChI=1S/C17H21N5O5/c1-25-12-4-3-5-13(26-2)14(12)16(23)19-11-10-18-20-15(11)17(24)21-22-6-8-27-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,18,20)(H,19,23)(H,21,24)
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n/an/a 450n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025670
PNG
(CHEMBL3335174)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCCN(C)C
Show InChI InChI=1S/C18H25N5O4/c1-23(2)10-6-9-19-18(25)16-12(11-20-22-16)21-17(24)15-13(26-3)7-5-8-14(15)27-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,19,25)(H,20,22)(H,21,24)
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n/an/a 470n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 540n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025673
PNG
(CHEMBL3335176)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H25N5O5/c1-27-14-4-3-5-15(28-2)16(14)18(25)22-13-12-21-23-17(13)19(26)20-6-7-24-8-10-29-11-9-24/h3-5,12H,6-11H2,1-2H3,(H,20,26)(H,21,23)(H,22,25)
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n/an/a 630n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025672
PNG
(CHEMBL3335175)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C19H25N5O4/c1-27-14-6-5-7-15(28-2)16(14)18(25)22-13-12-21-23-17(13)19(26)20-8-11-24-9-3-4-10-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,26)(H,21,23)(H,22,25)
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n/an/a 660n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025661
PNG
(CHEMBL3335163)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ncccc1C
Show InChI InChI=1S/C20H21N5O4/c1-12-6-5-9-21-13(12)10-22-20(27)18-14(11-23-25-18)24-19(26)17-15(28-2)7-4-8-16(17)29-3/h4-9,11H,10H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
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n/an/a 870n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50025664
PNG
(CHEMBL3335167)
Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C18H17N5O4/c1-26-12-6-5-7-13(27-2)15(12)17(24)21-11-10-20-23-16(11)18(25)22-14-8-3-4-9-19-14/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,19,22,25)
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n/an/a 940n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50206422
PNG
(3-(4-fluorophenyl)-4-(pyridin-4-yl)quinolin-2(1H)-...)
Show SMILES Fc1ccc(cc1)-c1c(-c2ccncc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H13FN2O/c21-15-7-5-13(6-8-15)19-18(14-9-11-22-12-10-14)16-3-1-2-4-17(16)23-20(19)24/h1-12H,(H,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50232725
PNG
(1-ethyl-3-(4-fluorophenyl)-4-(pyridin-4-yl)quinoli...)
Show SMILES CCn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H17FN2O/c1-2-25-19-6-4-3-5-18(19)20(16-11-13-24-14-12-16)21(22(25)26)15-7-9-17(23)10-8-15/h3-14H,2H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
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