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Compile Data Set for Download or QSAR

Found 63 hits of ic50 for UniProtKB: P58295   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335008
PNG
(5-Biphenyl-4-yl-4-(2-fluorophenyl)-N-methyl-4H-1,2...)
Show SMILES CNc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(17.26,-39.7,;16.11,-40.73,;14.65,-40.25,;14.17,-38.79,;12.63,-38.79,;12.16,-40.25,;10.83,-41.03,;10.84,-42.57,;9.51,-43.34,;8.17,-42.57,;8.16,-41.04,;9.49,-40.26,;6.85,-43.35,;5.51,-42.58,;4.18,-43.35,;4.18,-44.9,;5.51,-45.67,;6.85,-44.9,;13.4,-41.16,;13.4,-42.69,;12.06,-43.45,;12.06,-44.99,;13.39,-45.77,;14.73,-44.99,;14.73,-43.45,;16.06,-42.68,)|
Show InChI InChI=1S/C21H17FN4/c1-23-21-25-24-20(26(21)19-10-6-5-9-18(19)22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,25)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099875
PNG
((E)-2-Amino-5-(2,4-difluoro-phenyl)-5-(4-isopropyl...)
Show SMILES CC(C)c1ccc(cc1)C(=C/C[C@H](N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F2NO2/c1-12(2)13-3-5-14(6-4-13)16(9-10-19(23)20(24)25)17-8-7-15(21)11-18(17)22/h3-9,11-12,19H,10,23H2,1-2H3,(H,24,25)/p-1/b16-9+/t19-/m0/s1
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335010
PNG
(3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-t...)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(31.78,4.31,;30.63,3.28,;29.17,3.76,;28.69,5.23,;27.15,5.23,;26.68,3.77,;25.35,2.99,;25.36,1.45,;24.03,.67,;22.69,1.44,;22.68,2.97,;24.01,3.75,;21.37,.67,;20.03,1.43,;18.7,.66,;18.7,-.88,;20.04,-1.65,;21.37,-.88,;27.92,2.86,;27.92,1.33,;26.58,.56,;26.58,-.98,;27.91,-1.75,;29.25,-.98,;29.25,.56,;30.58,1.33,)|
Show InChI InChI=1S/C22H18FN3/c1-2-21-24-25-22(26(21)20-11-7-6-10-19(20)23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from Wistar rat brain GlyT2 after 10 mins by scintillation counting


Bioorg Med Chem 20: 34-41 (2011)


Article DOI: 10.1016/j.bmc.2011.11.038
BindingDB Entry DOI: 10.7270/Q2WM1DVF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335010
PNG
(3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-t...)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(31.78,4.31,;30.63,3.28,;29.17,3.76,;28.69,5.23,;27.15,5.23,;26.68,3.77,;25.35,2.99,;25.36,1.45,;24.03,.67,;22.69,1.44,;22.68,2.97,;24.01,3.75,;21.37,.67,;20.03,1.43,;18.7,.66,;18.7,-.88,;20.04,-1.65,;21.37,-.88,;27.92,2.86,;27.92,1.33,;26.58,.56,;26.58,-.98,;27.91,-1.75,;29.25,-.98,;29.25,.56,;30.58,1.33,)|
Show InChI InChI=1S/C22H18FN3/c1-2-21-24-25-22(26(21)20-11-7-6-10-19(20)23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335010
PNG
(3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-t...)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(31.78,4.31,;30.63,3.28,;29.17,3.76,;28.69,5.23,;27.15,5.23,;26.68,3.77,;25.35,2.99,;25.36,1.45,;24.03,.67,;22.69,1.44,;22.68,2.97,;24.01,3.75,;21.37,.67,;20.03,1.43,;18.7,.66,;18.7,-.88,;20.04,-1.65,;21.37,-.88,;27.92,2.86,;27.92,1.33,;26.58,.56,;26.58,-.98,;27.91,-1.75,;29.25,-.98,;29.25,.56,;30.58,1.33,)|
Show InChI InChI=1S/C22H18FN3/c1-2-21-24-25-22(26(21)20-11-7-6-10-19(20)23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335006
PNG
(2-(3-Biphenyl-4-yl-5-methyl-4H-1,2,4-triazole-4-yl...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C#N |(2.17,-22.75,;.7,-22.27,;.23,-20.8,;-1.31,-20.8,;-1.79,-22.27,;-3.11,-23.04,;-3.11,-24.59,;-4.44,-25.36,;-5.77,-24.59,;-5.78,-23.06,;-4.46,-22.28,;-7.1,-25.36,;-8.43,-24.6,;-9.76,-25.37,;-9.77,-26.92,;-8.43,-27.69,;-7.09,-26.91,;-.55,-23.17,;-.55,-24.71,;-1.88,-25.47,;-1.89,-27.01,;-.55,-27.78,;.79,-27.01,;.78,-25.47,;2.11,-24.7,;3.44,-23.93,)|
Show InChI InChI=1S/C22H16N4/c1-16-24-25-22(26(16)21-10-6-5-9-20(21)15-23)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335004
PNG
(3-Biphenyl-4-yl-4-(2-chlorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1Cl |(15.78,-13.83,;14.32,-13.35,;13.85,-11.89,;12.3,-11.89,;11.83,-13.35,;10.5,-14.13,;10.51,-15.67,;9.18,-16.45,;7.84,-15.68,;7.83,-14.14,;9.16,-13.36,;6.51,-16.45,;5.18,-15.69,;3.85,-16.46,;3.85,-18,;5.18,-18.77,;6.52,-18,;13.07,-14.26,;13.07,-15.79,;11.73,-16.56,;11.73,-18.1,;13.06,-18.87,;14.4,-18.09,;14.4,-16.56,;15.73,-15.79,)|
Show InChI InChI=1S/C21H16ClN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099886
PNG
((E)-2-Amino-5-(3,4-diethyl-phenyl)-5-(2,4-difluoro...)
Show SMILES CCc1ccc(cc1CC)C(=C/C[C@H](N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C21H23F2NO2/c1-3-13-5-6-15(11-14(13)4-2)17(9-10-20(24)21(25)26)18-8-7-16(22)12-19(18)23/h5-9,11-12,20H,3-4,10,24H2,1-2H3,(H,25,26)/p-1/b17-9+/t20-/m0/s1
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099859
PNG
(CHEMBL29220 | Sodium; (E)-2-amino-5-(2-fluoro-phen...)
Show SMILES CC(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccccc1F
Show InChI InChI=1S/C20H22FNO2/c1-13(2)14-7-9-15(10-8-14)16(11-12-19(22)20(23)24)17-5-3-4-6-18(17)21/h3-11,13,19H,12,22H2,1-2H3,(H,23,24)/p-1/b16-11+
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099862
PNG
(CHEMBL28746 | Sodium; (E)-2-amino-5-(2,4-difluoro-...)
Show SMILES CC(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F2NO2/c1-12(2)13-3-5-14(6-4-13)16(9-10-19(23)20(24)25)17-8-7-15(21)11-18(17)22/h3-9,11-12,19H,10,23H2,1-2H3,(H,24,25)/p-1/b16-9+
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335001
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(14.8,-4.75,;13.34,-4.27,;12.87,-2.81,;11.33,-2.81,;10.85,-4.27,;9.53,-5.05,;9.53,-6.59,;8.2,-7.36,;6.86,-6.59,;6.86,-5.06,;8.18,-4.28,;5.54,-7.37,;4.2,-6.6,;2.88,-7.37,;2.87,-8.92,;4.21,-9.69,;5.54,-8.92,;12.09,-5.18,;12.09,-6.71,;10.76,-7.47,;10.75,-9.01,;12.09,-9.79,;13.43,-9.01,;13.42,-7.47,;14.75,-6.7,)|
Show InChI InChI=1S/C21H16FN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335001
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(14.8,-4.75,;13.34,-4.27,;12.87,-2.81,;11.33,-2.81,;10.85,-4.27,;9.53,-5.05,;9.53,-6.59,;8.2,-7.36,;6.86,-6.59,;6.86,-5.06,;8.18,-4.28,;5.54,-7.37,;4.2,-6.6,;2.88,-7.37,;2.87,-8.92,;4.21,-9.69,;5.54,-8.92,;12.09,-5.18,;12.09,-6.71,;10.76,-7.47,;10.75,-9.01,;12.09,-9.79,;13.43,-9.01,;13.42,-7.47,;14.75,-6.7,)|
Show InChI InChI=1S/C21H16FN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439743
PNG
(CHEMBL2419425)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N)c1C |(37.67,-16.43,;36.4,-17.3,;35.01,-16.63,;34.53,-15.17,;32.99,-15.17,;32.52,-16.64,;31.19,-17.4,;29.86,-16.61,;28.53,-17.37,;28.51,-18.92,;29.85,-19.69,;31.18,-18.93,;27.18,-19.68,;25.85,-18.9,;24.51,-19.66,;24.5,-21.2,;25.84,-21.98,;27.17,-21.21,;33.77,-17.54,;33.77,-19.08,;32.45,-19.85,;32.44,-21.39,;33.78,-22.16,;35.12,-21.39,;36.45,-22.16,;35.11,-19.84,;36.44,-19.07,)|
Show InChI InChI=1S/C23H22N4/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3,24H2,1-2H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099878
PNG
((E)-2-Amino-5-(2,4-difluoro-phenyl)-5-naphthalen-2...)
Show SMILES N[C@@H](C\C=C(/c1ccc2ccccc2c1)c1ccc(F)cc1F)C([O-])=O
Show InChI InChI=1S/C21H17F2NO2/c22-16-7-8-18(19(23)12-16)17(9-10-20(24)21(25)26)15-6-5-13-3-1-2-4-14(13)11-15/h1-9,11-12,20H,10,24H2,(H,25,26)/p-1/b17-9+/t20-/m0/s1
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50360102
PNG
(CHEMBL1928735)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2cccnc12 |(49.41,-6.17,;48.68,-7.53,;47.14,-7.57,;46.66,-6.11,;45.12,-6.11,;44.65,-7.58,;43.32,-8.34,;41.99,-7.56,;40.65,-8.32,;40.64,-9.86,;41.98,-10.64,;43.31,-9.87,;39.31,-10.62,;37.98,-9.84,;36.64,-10.61,;36.64,-12.15,;37.98,-12.92,;39.31,-12.15,;45.89,-8.48,;45.9,-10.02,;44.56,-10.79,;44.56,-12.33,;45.89,-13.1,;47.24,-12.32,;48.58,-13.08,;49.91,-12.29,;49.89,-10.74,;48.55,-9.99,;47.23,-10.77,)|
Show InChI InChI=1S/C25H20N4/c1-2-23-27-28-25(21-15-13-19(14-16-21)18-8-4-3-5-9-18)29(23)22-12-6-10-20-11-7-17-26-24(20)22/h3-17H,2H2,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from Wistar rat brain GlyT2 after 10 mins by scintillation counting


Bioorg Med Chem 20: 34-41 (2011)


Article DOI: 10.1016/j.bmc.2011.11.038
BindingDB Entry DOI: 10.7270/Q2WM1DVF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099882
PNG
(CHEMBL29958 | Sodium; (Z)-2-amino-5-(4-isopropyl-p...)
Show SMILES CC(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-14(2)15-8-10-17(11-9-15)18(12-13-19(21)20(22)23)16-6-4-3-5-7-16/h3-12,14,19H,13,21H2,1-2H3,(H,22,23)/p-1/b18-12-
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099879
PNG
(CHEMBL28601 | Sodium; (E)-2-amino-5-(2,4-difluoro-...)
Show SMILES CCc1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C19H19F2NO2/c1-2-12-3-5-13(6-4-12)15(9-10-18(22)19(23)24)16-8-7-14(20)11-17(16)21/h3-9,11,18H,2,10,22H2,1H3,(H,23,24)/p-1/b15-9+
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335005
PNG
(3-Biphenyl-4-yl-5-methyl-4-[2-(trifluoromethyl)phe...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C(F)(F)F |(29.74,-13.3,;28.27,-13.31,;27.8,-11.84,;26.26,-11.84,;25.78,-13.31,;24.46,-14.08,;24.46,-15.63,;23.13,-16.4,;21.8,-15.63,;21.79,-14.1,;23.11,-13.32,;20.47,-16.4,;19.14,-15.64,;17.81,-16.41,;17.81,-17.96,;19.14,-18.73,;20.48,-17.95,;27.03,-14.21,;27.03,-15.75,;25.69,-16.51,;25.69,-18.05,;27.02,-18.82,;28.36,-18.05,;28.35,-16.51,;29.69,-15.74,;31.02,-16.51,;29.69,-14.2,;31.01,-14.96,)|
Show InChI InChI=1S/C22H16F3N3/c1-15-26-27-21(28(15)20-10-6-5-9-19(20)22(23,24)25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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n/an/a 600n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099866
PNG
(CHEMBL418388 | Sodium; (E)-2-amino-5-(3,4-diethyl-...)
Show SMILES CCc1ccc(cc1CC)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C21H23F2NO2/c1-3-13-5-6-15(11-14(13)4-2)17(9-10-20(24)21(25)26)18-8-7-16(22)12-19(18)23/h5-9,11-12,20H,3-4,10,24H2,1-2H3,(H,25,26)/p-1/b17-9+
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NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439737
PNG
(CHEMBL2419431)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(F)c1C |(33.17,-50.76,;31.9,-51.63,;30.52,-50.96,;30.04,-49.5,;28.5,-49.51,;28.02,-50.97,;26.69,-51.73,;25.37,-50.95,;24.03,-51.71,;24.02,-53.25,;25.35,-54.03,;26.69,-53.26,;22.68,-54.01,;21.35,-53.23,;20.02,-53.99,;20.01,-55.53,;21.34,-56.31,;22.68,-55.54,;29.27,-51.87,;29.28,-53.41,;27.95,-54.18,;27.95,-55.73,;29.28,-56.5,;30.62,-55.73,;31.95,-56.49,;30.61,-54.18,;31.94,-53.4,)|
Show InChI InChI=1S/C23H20FN3/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335007
PNG
(2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-y...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1O |(17.62,-21.86,;16.16,-21.38,;15.68,-19.91,;14.14,-19.91,;13.67,-21.37,;12.34,-22.15,;12.35,-23.69,;11.02,-24.47,;9.68,-23.7,;9.67,-22.17,;11,-21.39,;8.36,-24.47,;7.02,-23.71,;5.69,-24.48,;5.69,-26.02,;7.02,-26.79,;8.36,-26.02,;14.91,-22.28,;14.91,-23.81,;13.57,-24.58,;13.57,-26.12,;14.9,-26.89,;16.24,-26.12,;16.24,-24.58,;17.57,-23.81,)|
Show InChI InChI=1S/C21H17N3O/c1-15-22-23-21(24(15)19-9-5-6-10-20(19)25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,25H,1H3
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n/an/a 680n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439745
PNG
(CHEMBL2419423)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C |(36.18,-5.89,;34.91,-6.76,;33.52,-6.09,;33.04,-4.63,;31.5,-4.63,;31.03,-6.1,;29.7,-6.86,;28.37,-6.08,;27.03,-6.84,;27.02,-8.38,;28.36,-9.16,;29.69,-8.39,;25.69,-9.14,;24.36,-8.36,;23.02,-9.12,;23.01,-10.66,;24.35,-11.44,;25.68,-10.67,;32.28,-7,;32.28,-8.54,;30.95,-9.31,;30.95,-10.85,;32.29,-11.63,;33.62,-10.85,;33.62,-9.3,;34.95,-8.53,)|
Show InChI InChI=1S/C23H21N3/c1-3-22-24-25-23(26(22)21-12-8-7-9-17(21)2)20-15-13-19(14-16-20)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099883
PNG
(CHEMBL28577 | Sodium; (E)-2-amino-5-(2,4-difluoro-...)
Show SMILES NC(C\C=C(/c1ccc2ccccc2c1)c1ccc(F)cc1F)C([O-])=O
Show InChI InChI=1S/C21H17F2NO2/c22-16-7-8-18(19(23)12-16)17(9-10-20(24)21(25)26)15-6-5-13-3-1-2-4-14(13)11-15/h1-9,11-12,20H,10,24H2,(H,25,26)/p-1/b17-9+
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n/an/a 770n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335012
PNG
(3-Biphenyl-4-yl-5-methyl-4-(2-methylphenyl)-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C |(32.05,-21.71,;30.58,-21.23,;30.11,-19.76,;28.57,-19.76,;28.09,-21.22,;26.77,-22,;26.77,-23.54,;25.44,-24.32,;24.11,-23.55,;24.1,-22.02,;25.42,-21.24,;22.78,-24.32,;21.45,-23.56,;20.12,-24.33,;20.12,-25.87,;21.45,-26.64,;22.79,-25.87,;29.34,-22.13,;29.34,-23.66,;28,-24.43,;28,-25.97,;29.33,-26.74,;30.67,-25.97,;30.66,-24.43,;32,-23.66,)|
Show InChI InChI=1S/C22H19N3/c1-16-8-6-7-11-21(16)25-17(2)23-24-22(25)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-15H,1-2H3
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n/an/a 780n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439750
PNG
(CHEMBL2419441)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1ccccc1F |(35.66,-25.77,;34.52,-26.8,;33.06,-26.33,;32.58,-24.87,;31.04,-24.87,;30.56,-26.34,;29.23,-27.1,;27.9,-26.32,;26.57,-27.08,;26.56,-28.62,;27.89,-29.4,;29.23,-28.63,;25.22,-29.38,;23.89,-28.6,;22.55,-29.36,;22.55,-30.9,;23.88,-31.68,;25.22,-30.91,;31.81,-27.24,;31.82,-28.78,;30.49,-29.55,;30.49,-31.09,;31.82,-31.86,;33.16,-31.09,;33.15,-29.54,;34.48,-28.77,)|
Show InChI InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439749
PNG
(CHEMBL2417571)
Show SMILES CCc1nnc(-c2ccc(cn2)-c2ccccc2)n1-c1ccccc1F |(17.93,-34.77,;16.62,-35.57,;15.27,-34.84,;14.79,-33.37,;13.25,-33.38,;12.77,-34.84,;11.44,-35.6,;10.12,-34.82,;8.78,-35.58,;8.77,-37.12,;10.1,-37.9,;11.44,-37.14,;7.43,-37.88,;6.1,-37.1,;4.76,-37.86,;4.76,-39.41,;6.09,-40.18,;7.43,-39.42,;14.02,-35.75,;14.03,-37.29,;12.7,-38.06,;12.7,-39.6,;14.03,-40.37,;15.37,-39.6,;15.36,-38.05,;16.69,-37.27,)|
Show InChI InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)18-13-12-16(14-23-18)15-8-4-3-5-9-15/h3-14H,2H2,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335009
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methoxy-4H-1,...)
Show SMILES COc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(31.47,-39.01,;30.32,-40.04,;28.86,-39.56,;28.38,-38.09,;26.84,-38.09,;26.37,-39.56,;25.04,-40.33,;25.05,-41.88,;23.72,-42.65,;22.38,-41.88,;22.37,-40.35,;23.7,-39.57,;21.06,-42.65,;19.72,-41.89,;18.39,-42.66,;18.39,-44.21,;19.72,-44.98,;21.06,-44.2,;27.61,-40.46,;27.61,-42,;26.27,-42.76,;26.27,-44.3,;27.6,-45.07,;28.94,-44.3,;28.94,-42.76,;30.27,-41.99,)|
Show InChI InChI=1S/C21H16FN3O/c1-26-21-24-23-20(25(21)19-10-6-5-9-18(19)22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3
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n/an/a 990n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099858
PNG
(CHEMBL285370 | Sodium; (E)-2-amino-5-(4-isopropyl-...)
Show SMILES CC(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccsc1
Show InChI InChI=1S/C18H21NO2S/c1-12(2)13-3-5-14(6-4-13)16(15-9-10-22-11-15)7-8-17(19)18(20)21/h3-7,9-12,17H,8,19H2,1-2H3,(H,20,21)/p-1/b16-7+
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n/an/a 1.03E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099873
PNG
(CHEMBL29964 | Sodium; (E)-2-amino-5-(4-isopropyl-p...)
Show SMILES COc1ccc(cc1)C(=C\CC(N)C([O-])=O)\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H25NO3/c1-14(2)15-4-6-16(7-5-15)19(12-13-20(22)21(23)24)17-8-10-18(25-3)11-9-17/h4-12,14,20H,13,22H2,1-3H3,(H,23,24)/p-1/b19-12+
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n/an/a 1.16E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099863
PNG
(CHEMBL29023 | Sodium; (E)-2-amino-5-(2,4-difluoro-...)
Show SMILES Cc1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C18H17F2NO2/c1-11-2-4-12(5-3-11)14(8-9-17(21)18(22)23)15-7-6-13(19)10-16(15)20/h2-8,10,17H,9,21H2,1H3,(H,22,23)/p-1/b14-8+
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n/an/a 1.17E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439744
PNG
(CHEMBL2419424)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(C)c1C |(17.93,-17.5,;16.66,-18.37,;15.27,-17.7,;14.79,-16.24,;13.25,-16.24,;12.77,-17.71,;11.44,-18.47,;10.12,-17.69,;8.78,-18.45,;8.77,-19.99,;10.1,-20.77,;11.44,-20,;7.43,-20.75,;6.1,-19.97,;4.77,-20.73,;4.76,-22.27,;6.09,-23.05,;7.43,-22.28,;14.02,-18.61,;14.03,-20.15,;12.7,-20.92,;12.7,-22.47,;14.03,-23.24,;15.37,-22.47,;16.7,-23.23,;15.36,-20.92,;16.69,-20.14,)|
Show InChI InChI=1S/C24H23N3/c1-4-23-25-26-24(27(23)22-12-8-9-17(2)18(22)3)21-15-13-20(14-16-21)19-10-6-5-7-11-19/h5-16H,4H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439741
PNG
(CHEMBL2419427)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1C |(34.05,-28.9,;32.78,-29.77,;31.39,-29.11,;30.91,-27.64,;29.37,-27.65,;28.9,-29.11,;27.57,-29.87,;26.24,-29.09,;24.9,-29.85,;24.89,-31.39,;26.23,-32.17,;27.56,-31.41,;23.56,-32.15,;22.23,-31.37,;20.89,-32.13,;20.88,-33.67,;22.22,-34.45,;23.55,-33.69,;30.15,-30.01,;30.15,-31.55,;28.82,-32.32,;28.82,-33.87,;30.15,-34.64,;31.49,-33.87,;32.83,-34.64,;31.49,-32.32,;32.82,-31.54,)|
Show InChI InChI=1S/C23H21N3O/c1-3-22-24-25-23(26(22)20-10-7-11-21(27)16(20)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15,27H,3H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099868
PNG
(CHEMBL27914 | Sodium; (E)-2-amino-5-biphenyl-3-yl-...)
Show SMILES NC(C\C=C(/c1cccc(c1)-c1ccccc1)c1ccc(F)cc1F)C([O-])=O
Show InChI InChI=1S/C23H19F2NO2/c24-18-9-10-20(21(25)14-18)19(11-12-22(26)23(27)28)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-11,13-14,22H,12,26H2,(H,27,28)/p-1/b19-11+
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n/an/a 1.34E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50334998
PNG
(3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazol...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C21H17N3/c1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099861
PNG
(CHEMBL28549 | Sodium; (E)-2-amino-5-(2,4-difluoro-...)
Show SMILES CC(C)c1cccc(c1)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F2NO2/c1-12(2)13-4-3-5-14(10-13)16(8-9-19(23)20(24)25)17-7-6-15(21)11-18(17)22/h3-8,10-12,19H,9,23H2,1-2H3,(H,24,25)/p-1/b16-8+
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n/an/a 1.59E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439751
PNG
(CHEMBL2419444)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccn2)n1-c1ccccc1F |(16.51,-26.63,;15.04,-26.16,;14.56,-24.69,;13.02,-24.7,;12.55,-26.16,;11.22,-26.92,;9.89,-26.14,;8.55,-26.9,;8.54,-28.44,;9.88,-29.22,;11.21,-28.46,;7.21,-29.2,;5.88,-28.42,;4.54,-29.18,;4.53,-30.73,;5.87,-31.5,;7.2,-30.74,;13.8,-27.07,;13.8,-28.6,;12.47,-29.38,;12.47,-30.92,;13.8,-31.69,;15.14,-30.92,;15.14,-29.37,;16.47,-28.59,)|
Show InChI InChI=1S/C20H15FN4/c1-14-23-24-20(25(14)19-8-3-2-6-17(19)21)16-11-9-15(10-12-16)18-7-4-5-13-22-18/h2-13H,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50114035
PNG
(3-Biphenyl-4-yl-4-(2-methoxy-phenyl)-5-methyl-4H-[...)
Show SMILES COc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1 |(18.22,-5.11,;16.73,-4.71,;15.64,-5.81,;16.04,-7.28,;14.95,-8.38,;13.47,-7.98,;13.07,-6.5,;14.17,-5.41,;13.77,-3.93,;14.8,-2.77,;16.34,-2.77,;14.01,-1.43,;12.51,-1.76,;12.35,-3.3,;11.02,-4.08,;9.68,-3.32,;8.36,-4.1,;8.37,-5.63,;9.7,-6.41,;11.04,-5.63,;7.04,-6.41,;7.04,-7.96,;5.69,-8.73,;4.36,-7.96,;4.36,-6.41,;5.69,-5.64,)|
Show InChI InChI=1S/C22H19N3O/c1-16-23-24-22(25(16)20-10-6-7-11-21(20)26-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099881
PNG
((E)-2-Amino-5-(4-tert-butyl-phenyl)-5-(2,4-difluor...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C21H23F2NO2/c1-21(2,3)14-6-4-13(5-7-14)16(10-11-19(24)20(25)26)17-9-8-15(22)12-18(17)23/h4-10,12,19H,11,24H2,1-3H3,(H,25,26)/p-1/b16-10+
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n/an/a 1.74E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099865
PNG
(CHEMBL283017 | Sodium; 2-amino-5,5-bis-(4-isopropy...)
Show SMILES [#6]-[#6](-[#6])-c1ccc(cc1)-[#6](=[#6]/[#6]-[#6](-[#7])-[#6](-[#8-])=O)\c1ccc(cc1)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C23H29NO2/c1-15(2)17-5-9-19(10-6-17)21(13-14-22(24)23(25)26)20-11-7-18(8-12-20)16(3)4/h5-13,15-16,22H,14,24H2,1-4H3,(H,25,26)/p-1
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n/an/a 2.03E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099880
PNG
(CHEMBL29279 | Sodium; (E)-2-amino-5-(2,4-difluoro-...)
Show SMILES COc1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(F)cc1F
Show InChI InChI=1S/C18H17F2NO3/c1-24-13-5-2-11(3-6-13)14(8-9-17(21)18(22)23)15-7-4-12(19)10-16(15)20/h2-8,10,17H,9,21H2,1H3,(H,22,23)/p-1/b14-8+
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n/an/a 2.03E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099885
PNG
(CHEMBL281450 | Sodium; (E)-2-amino-5-biphenyl-4-yl...)
Show SMILES CC(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27NO2/c1-18(2)19-8-12-22(13-9-19)24(16-17-25(27)26(28)29)23-14-10-21(11-15-23)20-6-4-3-5-7-20/h3-16,18,25H,17,27H2,1-2H3,(H,28,29)/p-1/b24-16+
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n/an/a 2.06E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099864
PNG
(CHEMBL27850 | Sodium; (Z)-2-amino-5-biphenyl-4-yl-...)
Show SMILES NC(C\C=C(\c1ccc(cc1)-c1ccccc1)c1ccc(F)cc1F)C([O-])=O
Show InChI InChI=1S/C23H19F2NO2/c24-18-10-11-20(21(25)14-18)19(12-13-22(26)23(27)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,22H,13,26H2,(H,27,28)/p-1/b19-12-
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n/an/a 2.40E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099872
PNG
(CHEMBL285592 | Sodium; (E)-2-amino-5-(4-cyano-phen...)
Show SMILES CC(C)c1ccc(cc1)C(=C/CC(N)C([O-])=O)\c1ccc(cc1)C#N
Show InChI InChI=1S/C21H22N2O2/c1-14(2)16-7-9-18(10-8-16)19(11-12-20(23)21(24)25)17-5-3-15(13-22)4-6-17/h3-11,14,20H,12,23H2,1-2H3,(H,24,25)/p-1/b19-11-
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n/an/a 2.64E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50360091
PNG
(CHEMBL1928738)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2ncccc12 |(33.75,-15.3,;33.02,-16.65,;31.48,-16.7,;31,-15.24,;29.46,-15.24,;28.99,-16.7,;27.66,-17.46,;26.32,-16.68,;24.99,-17.44,;24.98,-18.99,;26.32,-19.76,;27.65,-19,;23.65,-19.75,;22.32,-18.97,;20.98,-19.73,;20.97,-21.27,;22.31,-22.05,;23.64,-21.28,;30.23,-17.61,;30.23,-19.14,;28.9,-19.91,;28.9,-21.45,;30.23,-22.22,;31.58,-21.44,;32.92,-22.2,;34.25,-21.42,;34.23,-19.87,;32.89,-19.11,;31.57,-19.9,)|
Show InChI InChI=1S/C25H20N4/c1-2-24-27-28-25(20-15-13-19(14-16-20)18-8-4-3-5-9-18)29(24)23-12-6-11-22-21(23)10-7-17-26-22/h3-17H,2H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from Wistar rat brain GlyT2 after 10 mins by scintillation counting


Bioorg Med Chem 20: 34-41 (2011)


Article DOI: 10.1016/j.bmc.2011.11.038
BindingDB Entry DOI: 10.7270/Q2WM1DVF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099870
PNG
(CHEMBL29022 | Sodium; (E)-2-amino-5-biphenyl-2-yl-...)
Show SMILES NC(C\C=C(\c1ccc(F)cc1F)c1ccccc1-c1ccccc1)C([O-])=O
Show InChI InChI=1S/C23H19F2NO2/c24-16-10-11-20(21(25)14-16)19(12-13-22(26)23(27)28)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-12,14,22H,13,26H2,(H,27,28)/p-1/b19-12+
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n/an/a 2.75E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50439740
PNG
(CHEMBL2419428)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(CO)c1C |(14.92,-39.34,;13.65,-40.21,;12.26,-39.55,;11.78,-38.08,;10.24,-38.09,;9.77,-39.55,;8.44,-40.31,;7.11,-39.53,;5.78,-40.29,;5.76,-41.83,;7.1,-42.61,;8.44,-41.85,;4.43,-42.59,;3.1,-41.81,;1.76,-42.57,;1.75,-44.11,;3.09,-44.89,;4.42,-44.13,;11.02,-40.45,;11.03,-41.99,;9.7,-42.76,;9.69,-44.31,;11.03,-45.08,;12.37,-44.31,;13.7,-45.08,;13.7,-46.62,;12.36,-42.76,;13.69,-41.98,)|
Show InChI InChI=1S/C24H23N3O/c1-3-23-25-26-24(27(23)22-11-7-10-21(16-28)17(22)2)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15,28H,3,16H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335011
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-...)
Show SMILES CC(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(2.67,-3.47,;1.87,-4.79,;2.6,-6.14,;.33,-4.75,;-.15,-3.28,;-1.69,-3.28,;-2.16,-4.74,;-3.49,-5.52,;-3.48,-7.06,;-4.81,-7.84,;-6.15,-7.07,;-6.16,-5.53,;-4.83,-4.76,;-7.47,-7.84,;-8.81,-7.08,;-10.14,-7.85,;-10.14,-9.39,;-8.8,-10.16,;-7.47,-9.39,;-.92,-5.65,;-.92,-7.18,;-2.26,-7.95,;-2.26,-9.49,;-.93,-10.26,;.41,-9.48,;.41,-7.95,;1.74,-7.18,)|
Show InChI InChI=1S/C23H20FN3/c1-16(2)22-25-26-23(27(22)21-11-7-6-10-20(21)24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50335011
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-...)
Show SMILES CC(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(2.67,-3.47,;1.87,-4.79,;2.6,-6.14,;.33,-4.75,;-.15,-3.28,;-1.69,-3.28,;-2.16,-4.74,;-3.49,-5.52,;-3.48,-7.06,;-4.81,-7.84,;-6.15,-7.07,;-6.16,-5.53,;-4.83,-4.76,;-7.47,-7.84,;-8.81,-7.08,;-10.14,-7.85,;-10.14,-9.39,;-8.8,-10.16,;-7.47,-9.39,;-.92,-5.65,;-.92,-7.18,;-2.26,-7.95,;-2.26,-9.49,;-.93,-10.26,;.41,-9.48,;.41,-7.95,;1.74,-7.18,)|
Show InChI InChI=1S/C23H20FN3/c1-16(2)22-25-26-23(27(22)21-11-7-6-10-20(21)24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from Wistar rat brain GlyT2 after 10 mins by scintillation counting


Bioorg Med Chem 20: 34-41 (2011)


Article DOI: 10.1016/j.bmc.2011.11.038
BindingDB Entry DOI: 10.7270/Q2WM1DVF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50099877
PNG
(CHEMBL29396 | Sodium; (E)-2-amino-5-biphenyl-4-yl-...)
Show SMILES NC(C\C=C(/c1ccc(cc1)-c1ccccc1)c1ccc(F)cc1F)C([O-])=O
Show InChI InChI=1S/C23H19F2NO2/c24-18-10-11-20(21(25)14-18)19(12-13-22(26)23(27)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,22H,13,26H2,(H,27,28)/p-1/b19-12+
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n/an/a 3.66E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min...


Bioorg Med Chem Lett 11: 1371-3 (2001)


BindingDB Entry DOI: 10.7270/Q20C4W9Q
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Rattus norvegicus)
BDBM50360092
PNG
(CHEMBL1928736)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2ccncc12 |(2.75,-17.23,;2.02,-18.59,;.48,-18.63,;.01,-17.17,;-1.53,-17.17,;-2.01,-18.64,;-3.34,-19.4,;-4.67,-18.62,;-6.01,-19.38,;-6.01,-20.92,;-4.68,-21.7,;-3.34,-20.93,;-7.35,-21.68,;-8.68,-20.9,;-10.01,-21.67,;-10.02,-23.21,;-8.68,-23.98,;-7.35,-23.22,;-.76,-19.54,;-.76,-21.08,;-2.1,-21.85,;-2.1,-23.39,;-.76,-24.16,;.58,-23.38,;1.93,-24.14,;3.26,-23.35,;3.24,-21.8,;1.9,-21.05,;.57,-21.83,)|
Show InChI InChI=1S/C25H20N4/c1-2-24-27-28-25(21-13-11-19(12-14-21)18-7-4-3-5-8-18)29(24)23-10-6-9-20-15-16-26-17-22(20)23/h3-17H,2H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from Wistar rat brain GlyT2 after 10 mins by scintillation counting


Bioorg Med Chem 20: 34-41 (2011)


Article DOI: 10.1016/j.bmc.2011.11.038
BindingDB Entry DOI: 10.7270/Q2WM1DVF
More data for this
Ligand-Target Pair
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