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Compile Data Set for Download or QSAR

Found 547 hits Enz. Inhib. hit(s) with Target = 'Glycine transporter 2'   
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
Glycine transporter 2


(HUMAN)
BDBM50264864
PNG
((2-morpholino-5-nitrophenyl)(4-(3-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)16-2-1-3-17(14-16)26-6-8-28(9-7-26)21(30)19-15-18(29(31)32)4-5-20(19)27-10-12-33-13-11-27/h1-5,14-15H,6-13H2
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n/an/an/an/a 300n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264936
PNG
(4-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)b...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H23N5O4/c23-16-17-1-3-18(4-2-17)24-7-9-26(10-8-24)22(28)20-15-19(27(29)30)5-6-21(20)25-11-13-31-14-12-25/h1-6,15H,7-14H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264900
PNG
((4-(4-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN4O4/c22-16-1-3-17(4-2-16)23-7-9-25(10-8-23)21(27)19-15-18(26(28)29)5-6-20(19)24-11-13-30-14-12-24/h1-6,15H,7-14H2
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n/an/an/an/a 1.17E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265272
PNG
(1-(3-fluoro-4-(4-(2-(methylamino)-5-nitrobenzoyl)p...)
Show SMILES CNc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C20H21FN4O4/c1-13(26)14-3-6-19(17(21)11-14)23-7-9-24(10-8-23)20(27)16-12-15(25(28)29)4-5-18(16)22-2/h3-6,11-12,22H,7-10H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265273
PNG
(1-(4-(4-(2-(dimethylamino)-5-nitrobenzoyl)piperazi...)
Show SMILES CN(C)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C21H23FN4O4/c1-14(27)15-4-6-20(18(22)12-15)24-8-10-25(11-9-24)21(28)17-13-16(26(29)30)5-7-19(17)23(2)3/h4-7,12-13H,8-11H2,1-3H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264937
PNG
((4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)(2-mor...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O6S/c1-33(30,31)19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-32-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 2.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175962
PNG
(1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175924
PNG
(8-[(1S,2S)-2-(3-chloro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Clc1cccc(c1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-8-6-7-19(17-20)22-11-4-5-12-23(22)28-15-13-25(14-16-28)24(30)27-18-29(25)21-9-2-1-3-10-21/h1-3,6-10,17,22-23H,4-5,11-16,18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175898
PNG
(1-(4-chloro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264863
PNG
((4-(3-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN4O4/c22-16-2-1-3-17(14-16)23-6-8-25(9-7-23)21(27)19-15-18(26(28)29)4-5-20(19)24-10-12-30-13-11-24/h1-5,14-15H,6-13H2
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n/an/an/an/a 3.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265271
PNG
(1-(4-(4-(2-amino-5-nitrobenzoyl)piperazin-1-yl)-3-...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H19FN4O4/c1-12(25)13-2-5-18(16(20)10-13)22-6-8-23(9-7-22)19(26)15-11-14(24(27)28)3-4-17(15)21/h2-5,10-11H,6-9,21H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264901
PNG
((2-morpholino-5-nitrophenyl)(4-(4-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)16-1-3-17(4-2-16)26-7-9-28(10-8-26)21(30)19-15-18(29(31)32)5-6-20(19)27-11-13-33-14-12-27/h1-6,15H,7-14H2
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n/an/an/an/a 3.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175925
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-(4-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H30F3N3O/c27-26(28,29)20-10-12-21(13-11-20)32-18-30-24(33)25(32)14-16-31(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,30,33)/t22-,23-/m0/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264862
PNG
((2-morpholino-5-nitrophenyl)(4-m-tolylpiperazin-1-...)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-3-2-4-18(15-17)23-7-9-25(10-8-23)22(27)20-16-19(26(28)29)5-6-21(20)24-11-13-30-14-12-24/h2-6,15-16H,7-14H2,1H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265305
PNG
(1-(3-fluoro-4-(4-(5-nitro-2-(piperidin-1-yl)benzoy...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C24H27FN4O4/c1-17(30)18-5-7-23(21(25)15-18)27-11-13-28(14-12-27)24(31)20-16-19(29(32)33)6-8-22(20)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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n/an/an/an/a 4.20E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264938
PNG
(3-fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C22H22FN5O4/c23-19-13-16(15-24)1-3-21(19)25-5-7-27(8-6-25)22(29)18-14-17(28(30)31)2-4-20(18)26-9-11-32-12-10-26/h1-4,13-14H,5-12H2
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n/an/an/an/a 4.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265096
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)pipe...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C23H25FN4O5/c1-16(29)17-2-4-22(20(24)14-17)25-6-8-27(9-7-25)23(30)19-15-18(28(31)32)3-5-21(19)26-10-12-33-13-11-26/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 4.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175904
PNG
(8-[(1S,2S)-2-(4-chloro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-12-10-19(11-13-20)22-8-4-5-9-23(22)28-16-14-25(15-17-28)24(30)27-18-29(25)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265136
PNG
(1-(4-(4-(5-bromo-2-morpholinobenzoyl)piperazin-1-y...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(Br)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C23H25BrFN3O3/c1-16(29)17-2-4-22(20(25)14-17)26-6-8-28(9-7-26)23(30)19-15-18(24)3-5-21(19)27-10-12-31-13-11-27/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 5.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 5.90E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175946
PNG
(8-[(cis, rac)-2-(3,4-dichloro-phenyl)-2-hydroxy-cy...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H29Cl2N3O2/c26-20-10-9-18(16-21(20)27)25(32)11-5-4-8-22(25)29-14-12-24(13-15-29)23(31)28-17-30(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16,22,32H,4-5,8,11-15,17H2,(H,28,31)/t22-,25-/m1/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
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n/an/an/an/a 6.65E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175899
PNG
(8-[(1S,2S)-2-(3,4-dichloro-phenyl)-cyclohexyl]-1-p...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H29Cl2N3O/c26-21-11-10-18(16-22(21)27)20-8-4-5-9-23(20)29-14-12-25(13-15-29)24(31)28-17-30(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,28,31)/t20-,23-/m0/s1
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n/an/an/an/a 6.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175902
PNG
(1-phenyl-8-((cis,1R,2R)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263678
PNG
(CHEMBL518287 | N-(2-((3-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 7.52E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264899
PNG
((2-morpholino-5-nitrophenyl)(4-p-tolylpiperazin-1-...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-2-4-18(5-3-17)23-8-10-25(11-9-23)22(27)20-16-19(26(28)29)6-7-21(20)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 7.70E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264861
PNG
((4-(3-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-19-4-2-3-17(15-19)23-7-9-25(10-8-23)22(27)20-16-18(26(28)29)5-6-21(20)24-11-13-31-14-12-24/h2-6,15-16H,7-14H2,1H3
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n/an/an/an/a 8.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188811
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m0/s1
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n/an/an/an/a 8.36E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265304
PNG
(1-(4-(4-(2-(cyclohexylamino)-5-nitrobenzoyl)pipera...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2NC2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C25H29FN4O4/c1-17(31)18-7-10-24(22(26)15-18)28-11-13-29(14-12-28)25(32)21-16-20(30(33)34)8-9-23(21)27-19-5-3-2-4-6-19/h7-10,15-16,19,27H,2-6,11-14H2,1H3
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n/an/an/an/a 8.50E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175912
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-p-tolyl-1,3,8-tr...)
Show SMILES Cc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-11-13-22(14-12-20)29-19-27-25(30)26(29)15-17-28(18-16-26)24-10-6-5-9-23(24)21-7-3-2-4-8-21/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263676
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)et...)
Show SMILES Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 9.57E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175920
PNG
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265274
PNG
(1-(3-fluoro-4-(4-(2-(isopropylamino)-5-nitrobenzoy...)
Show SMILES CC(C)Nc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C22H25FN4O4/c1-14(2)24-20-6-5-17(27(30)31)13-18(20)22(29)26-10-8-25(9-11-26)21-7-4-16(15(3)28)12-19(21)23/h4-7,12-14,24H,8-11H2,1-3H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175920
PNG
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1
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n/an/an/an/a 1.03E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265172
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-(trifluoromethyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H25F4N3O3/c1-16(32)17-2-4-22(20(25)14-17)29-6-8-31(9-7-29)23(33)19-15-18(24(26,27)28)3-5-21(19)30-10-12-34-13-11-30/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175915
PNG
(1-cyclohexyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(C2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,9-10,21-23H,2,5-8,11-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264737
PNG
((4-(2-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H23ClN4O4/c22-18-3-1-2-4-20(18)23-7-9-25(10-8-23)21(27)17-15-16(26(28)29)5-6-19(17)24-11-13-30-14-12-24/h1-6,15H,7-14H2
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n/an/an/an/a 1.12E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264898
PNG
((4-(4-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-31-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.14E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263365
PNG
(4-fluoro-N-(2-((4-methoxyphenyl)(phenyl)methylamin...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 1.14E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50332349
PNG
((S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO4S/c1-16(25(26,27)28)33-23-11-10-21(34(2,31)32)13-22(23)24(30)29-14-19-9-8-18(12-20(19)15-29)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3/t16-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


Bioorg Med Chem Lett 20: 6960-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.124
BindingDB Entry DOI: 10.7270/Q2K35TXV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175903
PNG
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175903
PNG
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188374
PNG
(1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)
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n/an/an/an/a 1.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50175895
PNG
(1-phenyl-8-((1S,2S)-2-o-tolyl-cyclohexyl)-1,3,8-tr...)
Show SMILES Cc1ccccc1[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-9-5-6-12-22(20)23-13-7-8-14-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)21-10-3-2-4-11-21/h2-6,9-12,23-24H,7-8,13-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265173
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C#N)c(F)c1
Show InChI InChI=1S/C24H25FN4O3/c1-17(30)19-3-5-23(21(25)15-19)27-6-8-29(9-7-27)24(31)20-14-18(16-26)2-4-22(20)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 1.30E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264735
PNG
((4-(2-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-21-5-3-2-4-20(21)23-8-10-25(11-9-23)22(27)18-16-17(26(28)29)6-7-19(18)24-12-14-31-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.34E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263628
PNG
(CHEMBL476360 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
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n/an/an/an/a 1.41E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264736
PNG
((2-morpholino-5-nitrophenyl)(4-o-tolylpiperazin-1-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-4-2-3-5-20(17)23-8-10-25(11-9-23)22(27)19-16-18(26(28)29)6-7-21(19)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.42E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50332347
PNG
((S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)N1CCCC1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4S/c1-15(23(24,25)26)32-21-8-7-19(33(2,30)31)12-20(21)22(29)28-13-16-5-6-18(11-17(16)14-28)27-9-3-4-10-27/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3/t15-/m0/s1
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n/an/an/an/a 1.43E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


Bioorg Med Chem Lett 20: 6960-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.124
BindingDB Entry DOI: 10.7270/Q2K35TXV
More data for this
Ligand-Target Pair
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