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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'taki' 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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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 5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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 22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50210964
PNG
(3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
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 72n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))		BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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 2.27E+4n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake (PAH: 5 uM, indoxyl sulfate:500 uM) in S2 human-OAT1 expressing cells

Eur J Pharmacol 466: 13-20 (2003)


BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))		BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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 2.30E+4n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of PAH in OAT1-S2 cells

Eur J Pharmacol 466: 13-20 (2003)


BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))		BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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 1.69E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT3

Eur J Pharmacol 466: 13-20 (2003)


BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))		BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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 1.69E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT3-S2 cells

Eur J Pharmacol 466: 13-20 (2003)


BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))		BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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 1.81E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT4-S2 cells

Eur J Pharmacol 466: 13-20 (2003)


BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))		BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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 1.81E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT4

Eur J Pharmacol 466: 13-20 (2003)


BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
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))		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))		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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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))		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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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))		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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n/an/a 1.20n/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))		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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216762
PNG
(3-chloro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C17H11ClN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216758
PNG
(3-methyl-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C18H14N2/c1-12-7-14(11-19)9-17(8-12)16-6-5-15-4-3-13(2)20-18(15)10-16/h3-10H,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216750
PNG
(5-(2-methylquinolin-7-yl)isophthalonitrile | CHEMB...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C18H11N3/c1-12-2-3-15-4-5-16(9-18(15)21-12)17-7-13(10-19)6-14(8-17)11-20/h2-9H,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216749
PNG
(3-(methoxymethyl)-5-(2-methylquinolin-7-yl)benzoni...)
Show SMILES COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2O/c1-13-3-4-16-5-6-17(10-19(16)21-13)18-8-14(11-20)7-15(9-18)12-22-2/h3-10H,12H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216761
PNG
(3-methoxy-5-(2-methylquinolin-7-yl)benzonitrile | ...)
Show SMILES COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C18H14N2O/c1-12-3-4-14-5-6-15(10-18(14)20-12)16-7-13(11-19)8-17(9-16)21-2/h3-10H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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))		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
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
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50210964
PNG
(3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
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n/an/a 7.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50269427
PNG
(CHEMBL4082198)
Show SMILES C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H24N6O/c1-16-13-26(14-17-6-4-3-5-7-17)10-11-27(16)21-24-19(12-20(28)25(21)2)18-8-9-22-15-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t16-/m1/s1
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n/an/a 8.30n/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 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))		BDBM50269423
PNG
(CHEMBL4068148)
Show SMILES C[C@@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C14H18N6O/c1-10-8-15-5-6-20(10)14-18-12(7-13(21)19(14)2)11-3-4-16-9-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3/t10-/m1/s1
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n/an/a 13n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216741
PNG
(3-bromo-5-(2-methylquinolin-7-yl)benzonitrile | CH...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Br)cc(c1)C#N
Show InChI InChI=1S/C17H11BrN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50269409
PNG
(CHEMBL4064440)
Show SMILES CC(C)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C17H24N6O/c1-12(2)22-7-8-23(13(3)10-22)17-20-15(9-16(24)21(17)4)14-5-6-18-11-19-14/h5-6,9,11-13H,7-8,10H2,1-4H3/t13-/m1/s1
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n/an/a 13n/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))		BDBM50269422
PNG
(CHEMBL4095163)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cncnc1 |r|
Show InChI InChI=1S/C18H20N8O/c1-13-10-25(14-8-20-11-21-9-14)5-6-26(13)18-23-16(7-17(27)24(18)2)15-3-4-19-12-22-15/h3-4,7-9,11-13H,5-6,10H2,1-2H3/t13-/m1/s1
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n/an/a 14n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216770
PNG
(3-ethoxy-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES CCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2O/c1-3-22-18-9-14(12-20)8-17(10-18)16-7-6-15-5-4-13(2)21-19(15)11-16/h4-11H,3H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50269433
PNG
(CHEMBL4102920)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H24N6O3S/c1-15-4-6-17(7-5-15)31(29,30)26-10-11-27(16(2)13-26)21-24-19(12-20(28)25(21)3)18-8-9-22-14-23-18/h4-9,12,14,16H,10-11,13H2,1-3H3/t16-/m1/s1
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n/an/a 19n/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))		BDBM50269442
PNG
(CHEMBL4071773)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H22N6O2/c1-15-13-26(20(29)16-6-4-3-5-7-16)10-11-27(15)21-24-18(12-19(28)25(21)2)17-8-9-22-14-23-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1
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n/an/a 21n/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))		BDBM50269421
PNG
(CHEMBL4068965)
Show SMILES C[C@@H]1CN(C)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C15H20N6O/c1-11-9-19(2)6-7-21(11)15-18-13(8-14(22)20(15)3)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
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n/an/a 22n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216745
PNG
(5-(2-methylquinolin-7-yl)nicotinonitrile | CHEMBL2...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H11N3/c1-11-2-3-13-4-5-14(7-16(13)19-11)15-6-12(8-17)9-18-10-15/h2-7,9-10H,1H3
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50269418
PNG
(CHEMBL4067737)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ncccn1 |r|
Show InChI InChI=1S/C18H20N8O/c1-13-11-25(17-20-5-3-6-21-17)8-9-26(13)18-23-15(10-16(27)24(18)2)14-4-7-19-12-22-14/h3-7,10,12-13H,8-9,11H2,1-2H3/t13-/m1/s1
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n/an/a 24n/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))		BDBM50269446
PNG
(CHEMBL4098678)
Show SMILES C[C@@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncc1 |r|
Show InChI InChI=1S/C15H19N5O/c1-11-10-17-7-8-20(11)15-18-13(9-14(21)19(15)2)12-3-5-16-6-4-12/h3-6,9,11,17H,7-8,10H2,1-2H3/t11-/m1/s1
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n/an/a 29n/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))		BDBM50269436
PNG
(CHEMBL4078869)
Show SMILES CC[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C22H26N6O/c1-3-18-15-27(14-17-7-5-4-6-8-17)11-12-28(18)22-25-20(13-21(29)26(22)2)19-9-10-23-16-24-19/h4-10,13,16,18H,3,11-12,14-15H2,1-2H3/t18-/m1/s1
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n/an/a 43n/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))		BDBM50269432
PNG
(CHEMBL4078643)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(C)(=O)=O |r|
Show InChI InChI=1S/C15H20N6O3S/c1-11-9-20(25(3,23)24)6-7-21(11)15-18-13(8-14(22)19(15)2)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
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n/an/a 46n/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))		BDBM50269424
PNG
(CHEMBL4067909)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)C(C)=O |r|
Show InChI InChI=1S/C16H20N6O2/c1-11-9-21(12(2)23)6-7-22(11)16-19-14(8-15(24)20(16)3)13-4-5-17-10-18-13/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
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n/an/a 49n/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))		BDBM50269444
PNG
(CHEMBL4076038)
Show SMILES COC(=O)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C16H20N6O3/c1-11-9-21(16(24)25-3)6-7-22(11)15-19-13(8-14(23)20(15)2)12-4-5-17-10-18-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
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n/an/a 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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216752
PNG
(3-(ethylthio)-5-(2-methylquinolin-7-yl)benzonitril...)
Show SMILES CCSc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2S/c1-3-22-18-9-14(12-20)8-17(10-18)16-7-6-15-5-4-13(2)21-19(15)11-16/h4-11H,3H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216766
PNG
(3-(2-methylquinolin-7-yl)-5-(trifluoromethoxy)benz...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C18H11F3N2O/c1-11-2-3-13-4-5-14(9-17(13)23-11)15-6-12(10-22)7-16(8-15)24-18(19,20)21/h2-9H,1H3
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n/an/a 75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50269412
PNG
(CHEMBL4100141)
Show SMILES C[C@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C14H18N6O/c1-10-8-15-5-6-20(10)14-18-12(7-13(21)19(14)2)11-3-4-16-9-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3/t10-/m0/s1
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n/an/a 76n/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
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