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Compile Data Set for Download or QSAR

Found 16 hits of ki for UniProtKB: P48067   
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
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199955
PNG
(US9227930, 202)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C25H30N4O3S/c1-28-17-25(26-18-28)33(30,31)27-10-13-32-21-9-8-20-15-24(29-11-5-12-29)23(22(20)16-21)14-19-6-3-2-4-7-19/h2-4,6-9,16-18,23-24,27H,5,10-15H2,1H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199969
PNG
(BDBM199971 | US9227930, 209a)
Show SMILES CNC1Cc2cc(F)c(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C22H25FN4O2S/c1-24-21-11-16-10-20(23)17(12-26-30(28,29)22-13-27(2)14-25-22)9-18(16)19(21)8-15-6-4-3-5-7-15/h3-7,9-10,13-14,19,21,24,26H,8,11-12H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199969
PNG
(BDBM199971 | US9227930, 209a)
Show SMILES CNC1Cc2cc(F)c(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C22H25FN4O2S/c1-24-21-11-16-10-20(23)17(12-26-30(28,29)22-13-27(2)14-25-22)9-18(16)19(21)8-15-6-4-3-5-7-15/h3-7,9-10,13-14,19,21,24,26H,8,11-12H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199970
PNG
(US9227930, 210)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCc1cc2C(Cc3ccccc3)C(N)Cc2cc1F
Show InChI InChI=1S/C21H23FN4O2S/c1-26-12-21(24-13-26)29(27,28)25-11-16-8-17-15(9-19(16)22)10-20(23)18(17)7-14-5-3-2-4-6-14/h2-6,8-9,12-13,18,20,25H,7,10-11,23H2,1H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199952
PNG
(US9227930, 199)
Show SMILES CNC1Cc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C23H28N4O3S/c1-24-22-13-18-8-9-19(14-20(18)21(22)12-17-6-4-3-5-7-17)30-11-10-26-31(28,29)23-15-27(2)16-25-23/h3-9,14-16,21-22,24,26H,10-13H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199953
PNG
(US9227930, 200)
Show SMILES CNC1Cc2cc(F)c(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C23H27FN4O3S/c1-25-21-12-17-11-20(24)22(13-18(17)19(21)10-16-6-4-3-5-7-16)31-9-8-27-32(29,30)23-14-28(2)15-26-23/h3-7,11,13-15,19,21,25,27H,8-10,12H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199954
PNG
(US9227930, 201)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cc2C(Cc3ccccc3)C(Cc2cc1F)N1CCC1
Show InChI InChI=1S/C25H29FN4O3S/c1-29-16-25(27-17-29)34(31,32)28-8-11-33-24-15-20-19(13-22(24)26)14-23(30-9-5-10-30)21(20)12-18-6-3-2-4-7-18/h2-4,6-7,13,15-17,21,23,28H,5,8-12,14H2,1H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199958
PNG
(US9227930, 205)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC(C(Cc3ccccc3)c2c1)N1CC(C)(C)C1
Show InChI InChI=1S/C27H34N4O3S/c1-27(2)17-31(18-27)25-14-21-9-10-22(15-23(21)24(25)13-20-7-5-4-6-8-20)34-12-11-29-35(32,33)26-16-30(3)19-28-26/h4-10,15-16,19,24-25,29H,11-14,17-18H2,1-3H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199950
PNG
(US9227930, 197)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC(N)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H26N4O3S/c1-26-14-22(24-15-26)30(27,28)25-9-10-29-18-8-7-17-12-21(23)20(19(17)13-18)11-16-5-3-2-4-6-16/h2-8,13-15,20-21,25H,9-12,23H2,1H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199962
PNG
(US9227930, 206)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cc2C(Cc3ccccc3)C(Cc2cc1F)N1CC(C)(O)C1
Show InChI InChI=1S/C26H31FN4O4S/c1-26(32)15-31(16-26)23-12-19-11-22(27)24(13-20(19)21(23)10-18-6-4-3-5-7-18)35-9-8-29-36(33,34)25-14-30(2)17-28-25/h3-7,11,13-14,17,21,23,29,32H,8-10,12,15-16H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199957
PNG
(US9227930, 204)
Show SMILES CC1CN(C1)C1Cc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C26H32N4O3S/c1-19-15-30(16-19)25-13-21-8-9-22(14-23(21)24(25)12-20-6-4-3-5-7-20)33-11-10-28-34(31,32)26-17-29(2)18-27-26/h3-9,14,17-19,24-25,28H,10-13,15-16H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199956
PNG
(US9227930, 203)
Show SMILES CC1CN(C1)C1Cc2cc(F)c(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C26H31FN4O3S/c1-18-14-31(15-18)24-12-20-11-23(27)25(13-21(20)22(24)10-19-6-4-3-5-7-19)34-9-8-29-35(32,33)26-16-30(2)17-28-26/h3-7,11,13,16-18,22,24,29H,8-10,12,14-15H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199948
PNG
(US9227930, 195)
Show SMILES CCOC(=O)NC1Cc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccccc1
Show InChI InChI=1S/C25H30N4O5S/c1-3-33-25(30)28-23-14-19-9-10-20(15-21(19)22(23)13-18-7-5-4-6-8-18)34-12-11-27-35(31,32)24-16-29(2)17-26-24/h4-10,15-17,22-23,27H,3,11-14H2,1-2H3,(H,28,30)
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<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199963
PNG
(US9227930, 207)
Show SMILES CN(CCOc1cc2C(Cc3ccccc3)C(Cc2cc1F)N1CC(C)(O)C1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C27H33FN4O4S/c1-27(33)16-32(17-27)24-13-20-12-23(28)25(14-21(20)22(24)11-19-7-5-4-6-8-19)36-10-9-31(3)37(34,35)26-15-30(2)18-29-26/h4-8,12,14-15,18,22,24,33H,9-11,13,16-17H2,1-3H3
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<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199951
PNG
(US9227930, 198)
Show SMILES Cn1ccnc1S(=O)(=O)NCCOc1ccc2CC(N)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H26N4O3S/c1-26-11-9-24-22(26)30(27,28)25-10-12-29-18-8-7-17-14-21(23)20(19(17)15-18)13-16-5-3-2-4-6-16/h2-9,11,15,20-21,25H,10,12-14,23H2,1H3
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<1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair
Isoform GlyT-1A of Sodium- and chloride-dependent glycine transporter 1 (GlyT-1A)


(Homo sapiens (Human))
BDBM199949
PNG
(US9227930, 196)
Show SMILES CCOC(=O)NC1Cc2ccc(OCCNS(=O)(=O)c3nccn3C)cc2C1Cc1ccccc1
Show InChI InChI=1S/C25H30N4O5S/c1-3-33-25(30)28-23-16-19-9-10-20(17-21(19)22(23)15-18-7-5-4-6-8-18)34-14-12-27-35(31,32)24-26-11-13-29(24)2/h4-11,13,17,22-23,27H,3,12,14-16H2,1-2H3,(H,28,30)
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<1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9227930 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0737
More data for this
Ligand-Target Pair