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Compile Data Set for Download or QSAR

Found 1858 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1'   
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 1


(Homo sapiens (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 1n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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 2n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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 2n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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 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 GlyT1 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
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50011135
PNG
(CHEMBL3259928)
Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1
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n/an/an/an/a 5n/an/an/an/a


TBA

Assay Description
Inhibition of mouse GlyT1


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322439
PNG
(4-[4-(2-Cyclohexyloxy-5-methanesulfonyl-benzoyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H28FN3O4S/c1-34(31,32)20-8-10-24(33-19-5-3-2-4-6-19)21(16-20)25(30)29-13-11-28(12-14-29)23-9-7-18(17-27)15-22(23)26/h7-10,15-16,19H,2-6,11-14H2,1H3
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n/an/an/an/a 8n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265345
PNG
(1-(4-(4-(2-sec-butoxy-5-(methylsulfonyl)benzoyl)pi...)
Show SMILES CCC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H29FN2O5S/c1-5-16(2)32-23-9-7-19(33(4,30)31)15-20(23)24(29)27-12-10-26(11-13-27)22-8-6-18(17(3)28)14-21(22)25/h6-9,14-16H,5,10-13H2,1-4H3
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n/an/an/an/a 9n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50322424
PNG
(3-Fluoro-4-[4-(2-isobutoxy-5-methanesulfonyl-benzo...)
Show SMILES CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13-19(22)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,8-11,15H2,1-3H3
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n/an/an/an/a 10n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50011135
PNG
(CHEMBL3259928)
Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1
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TBA

Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322438
PNG
(4-[4-(2-Cyclopentyloxy-5-methanesulfonyl-benzoyl)-...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H26FN3O4S/c1-33(30,31)19-7-9-23(32-18-4-2-3-5-18)20(15-19)24(29)28-12-10-27(11-13-28)22-8-6-17(16-26)14-21(22)25/h6-9,14-15,18H,2-5,10-13H2,1H3
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n/an/an/an/a 12n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265097
PNG
(3-fluoro-4-(4-(5-(methylsulfonyl)-2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H27FN4O3S/c1-33(31,32)19-6-8-22(27-9-3-2-4-10-27)20(16-19)24(30)29-13-11-28(12-14-29)23-7-5-18(17-26)15-21(23)25/h5-8,15-16H,2-4,9-14H2,1H3
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n/an/an/an/a 12n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 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 1


(Homo sapiens (Human))
BDBM50322430
PNG
(CHEMBL1172199 | rac-[4-(2-Fluoro-4-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F7N2O4S/c1-13(21(24,25)26)35-19-6-4-15(36(2,33)34)12-16(19)20(32)31-9-7-30(8-10-31)18-5-3-14(11-17(18)23)22(27,28)29/h3-6,11-13H,7-10H2,1-2H3
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n/an/an/an/a 13n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50332361
PNG
((S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)C1CCOCC1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO5S/c1-15(24(25,26)27)33-22-6-5-20(34(2,30)31)12-21(22)23(29)28-13-18-4-3-17(11-19(18)14-28)16-7-9-32-10-8-16/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 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 1


(Homo sapiens (Human))
BDBM50264978
PNG
(2-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4/c24-23(25,26)17-1-3-20(16(13-17)15-27)28-5-7-30(8-6-28)22(32)19-14-18(31(33)34)2-4-21(19)29-9-11-35-12-10-29/h1-4,13-14H,5-12H2
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50265346
PNG
(1-(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2OCC2CC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H27FN2O5S/c1-16(28)18-5-7-22(21(25)13-18)26-9-11-27(12-10-26)24(29)20-14-19(33(2,30)31)6-8-23(20)32-15-17-3-4-17/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50265347
PNG
(1-(3-fluoro-4-(4-(2-(isopropylthio)-5-(methylsulfo...)
Show SMILES CC(C)Sc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN2O4S2/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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 15n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT1 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 1


(Homo sapiens (Human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50264734
PNG
(1-(3-fluoro-4-(4-(3'-fluoro-4-(methylsulfonyl)biph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2cccc(F)c2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H24F2N2O4S/c1-17(31)18-6-9-25(24(28)15-18)29-10-12-30(13-11-29)26(32)23-16-21(35(2,33)34)7-8-22(23)19-4-3-5-20(27)14-19/h3-9,14-16H,10-13H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50332354
PNG
((4'-fluoro-4-(methylsulfonyl)biphenyl-2-yl)(5-(tet...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1Cc2ccc(cc2C1)C1CCOCC1
Show InChI InChI=1S/C27H26FNO4S/c1-34(31,32)24-8-9-25(19-4-6-23(28)7-5-19)26(15-24)27(30)29-16-21-3-2-20(14-22(21)17-29)18-10-12-33-13-11-18/h2-9,14-15,18H,10-13,16-17H2,1H3
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 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 1


(Homo sapiens (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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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50332363
PNG
((S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)-c1ccncc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O4S/c1-15(24(25,26)27)33-22-6-5-20(34(2,31)32)12-21(22)23(30)29-13-18-4-3-17(11-19(18)14-29)16-7-9-28-10-8-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 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 1


(Homo sapiens (Human))
BDBM50322437
PNG
(4-[4-(2-Cyclobutoxy-5-methanesulfonyl-benzoyl)-pip...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-6-8-22(31-17-3-2-4-17)19(14-18)23(28)27-11-9-26(10-12-27)21-7-5-16(15-25)13-20(21)24/h5-8,13-14,17H,2-4,9-12H2,1H3
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n/an/an/an/a 18n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265099
PNG
(3-fluoro-4-(4-(4-(methylsulfonyl)biphenylcarbonyl)...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H22FN3O3S/c1-33(31,32)20-8-9-21(19-5-3-2-4-6-19)22(16-20)25(30)29-13-11-28(12-14-29)24-10-7-18(17-27)15-23(24)26/h2-10,15-16H,11-14H2,1H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50332350
PNG
((S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO4S/c1-11(19(21,22)23)31-17-6-5-15(32(2,29)30)8-16(17)18(28)27-9-12-3-4-14(20(24,25)26)7-13(12)10-27/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 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 1


(Homo sapiens (Human))
BDBM50322428
PNG
(CHEMBL1171498 | rac-4-{4-[5-Methanesulfonyl-2-(2,2...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O4S/c1-15(22(23,24)25)32-20-8-7-18(33(2,30)31)13-19(20)21(29)28-11-9-27(10-12-28)17-5-3-16(14-26)4-6-17/h3-8,13,15H,9-12H2,1-2H3
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n/an/an/an/a 21n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175900
PNG
(8-[(1S,2S)-2-(4-fluoro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30FN3O/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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 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 1


(Homo sapiens (Human))
BDBM50175910
PNG
(1-(4-fluoro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Fc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30FN3O/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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 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 1


(Homo sapiens (Human))
BDBM50175945
PNG
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT1 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 1


(Homo sapiens (Human))
BDBM50011136
PNG
(CHEMBL3259926)
Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)
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TBA

Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188363
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-1-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 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 1


(Homo sapiens (Human))
BDBM50175953
PNG
(1-(4-fluoro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT1 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 1


(Homo sapiens (Human))
BDBM50265056
PNG
((2-cyclohexyl-5-(methylsulfonyl)phenyl)(4-(4-(trif...)
Show SMILES CS(=O)(=O)c1ccc(C2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O3S/c1-34(32,33)21-11-12-22(18-5-3-2-4-6-18)23(17-21)24(31)30-15-13-29(14-16-30)20-9-7-19(8-10-20)25(26,27)28/h7-12,17-18H,2-6,13-16H2,1H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50011137
PNG
(CHEMBL3259935)
Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C22H24ClF3N2O2S/c1-28-9-5-8-21(13-28,14-6-4-7-16(23)10-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,27,29)
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TBA

Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263364
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(3-(trifluoromethyl)phe...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
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n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (Human))
BDBM50175894
PNG
(1-phenethyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-...)
Show SMILES O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-6,9-12,24-25H,7-8,13-21H2,(H,28,31)/t24-,25-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 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 1


(Homo sapiens (Human))
BDBM50175914
PNG
(1-(2-cyclohexyl-ethyl)-8-((1S,2S)-2-phenyl-cyclohe...)
Show SMILES O=C1NCN(CCC2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H41N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h2,5-6,11-12,22,24-25H,1,3-4,7-10,13-21H2,(H,28,31)/t24-,25-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 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 1


(Homo sapiens (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 26n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT1 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 1


(Homo sapiens (Human))
BDBM50011138
PNG
(CHEMBL3259930)
Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H24F4N2O2S/c1-28-10-4-9-21(13-28,14-5-7-16(23)8-6-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,27,29)
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TBA

Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (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 26n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


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 1


(Homo sapiens (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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 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 1


(Homo sapiens (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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 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 1


(Homo sapiens (Human))
BDBM50011139
PNG
(CHEMBL3259931)
Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H24ClF3N2O2S/c1-28-10-4-9-21(13-28,14-5-7-16(23)8-6-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,27,29)
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TBA

Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50332359
PNG
((2-isopropoxy-5-(methylsulfonyl)phenyl)(5-(tetrahy...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)C1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C24H29NO5S/c1-16(2)30-23-7-6-21(31(3,27)28)13-22(23)24(26)25-14-19-5-4-18(12-20(19)15-25)17-8-10-29-11-9-17/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 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 1


(Homo sapiens (Human))
BDBM50322426
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...)
Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265055
PNG
((4'-fluoro-4-(methylsulfonyl)biphenyl-2-yl)(4-(4-(...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F4N2O3S/c1-35(33,34)21-10-11-22(17-2-6-19(26)7-3-17)23(16-21)24(32)31-14-12-30(13-15-31)20-8-4-18(5-9-20)25(27,28)29/h2-11,16H,12-15H2,1H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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 1


(Homo sapiens (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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 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
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