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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'lessel' and Initial = 'u'   
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))
BDBM201161
PNG
(US9233953, 121)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C23H25F3N2O3S/c24-23(25,26)19-6-8-20(9-7-19)27-12-13-28(21(16-27)17-4-2-1-3-5-17)22(29)18-10-14-32(30,31)15-11-18/h1-9,18,21H,10-16H2
KEGG

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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201186
PNG
(US9233953, 148)
Show SMILES FC(F)(F)c1nnc(s1)N1CCN([C@@H](C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C17H18ClF3N4O3S3/c18-13-2-1-12(29-13)11-9-24(16-23-22-15(30-16)17(19,20)21)5-6-25(11)14(26)10-3-7-31(27,28)8-4-10/h1-2,10-11H,3-9H2/t11-/s2
KEGG

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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201090
PNG
(US9233953, 51)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F |r|
Show InChI InChI=1/C20H21F4N3O4S/c21-15-3-1-13(2-4-15)16-12-26(18-11-17(31-25-18)20(22,23)24)7-8-27(16)19(28)14-5-9-32(29,30)10-6-14/h1-4,11,14,16H,5-10,12H2/t16-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201081
PNG
(US9233953, 42)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C22H23F4N3O3S/c23-18-4-1-15(2-5-18)19-14-28(20-6-3-17(13-27-20)22(24,25)26)9-10-29(19)21(30)16-7-11-33(31,32)12-8-16/h1-6,13,16,19H,7-12,14H2/t19-/s2
KEGG

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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201115
PNG
(US9233953, 76)
Show SMILES Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
Show InChI InChI=1/C20H21F4N3O4S/c21-15-4-2-1-3-14(15)16-12-26(18-11-17(31-25-18)20(22,23)24)7-8-27(16)19(28)13-5-9-32(29,30)10-6-13/h1-4,11,13,16H,5-10,12H2
KEGG

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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201135
PNG
(US9233953, 96)
Show SMILES Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cnc(cn1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O3S2/c20-16-2-1-14(31-16)13-11-26(17-10-24-15(9-25-17)19(21,22)23)5-6-27(13)18(28)12-3-7-32(29,30)8-4-12/h1-2,9-10,12-13H,3-8,11H2
KEGG

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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201141
PNG
(US9233953, 102)
Show SMILES FC(F)(F)c1cnc(nc1)N1CCN([C@@H](C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C19H20ClF3N4O3S2/c20-16-2-1-15(31-16)14-11-26(18-24-9-13(10-25-18)19(21,22)23)5-6-27(14)17(28)12-3-7-32(29,30)8-4-12/h1-2,9-10,12,14H,3-8,11H2/t14-/s2
KEGG

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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201162
PNG
(US9233953, 122)
Show SMILES Clc1ccc(cc1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C22H25ClN2O3S/c23-19-6-8-20(9-7-19)24-12-13-25(21(16-24)17-4-2-1-3-5-17)22(26)18-10-14-29(27,28)15-11-18/h1-9,18,21H,10-16H2
KEGG

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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201138
PNG
(US9233953, 99)
Show SMILES Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O3S2/c20-16-2-1-15(31-16)14-11-26(18-24-9-13(10-25-18)19(21,22)23)5-6-27(14)17(28)12-3-7-32(29,30)8-4-12/h1-2,9-10,12,14H,3-8,11H2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201071
PNG
(US9233953, 32)
Show SMILES Fc1ccc(cc1F)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
Show InChI InChI=1/C20H20F5N3O4S/c21-14-2-1-13(9-15(14)22)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12/h1-2,9-10,12,16H,3-8,11H2
KEGG

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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201057
PNG
(US9233953, 18)
Show SMILES Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2cc(on2)C(F)(F)F)c1F
Show InChI InChI=1/C20H20F5N3O4S/c21-14-3-1-2-13(18(14)22)15-11-27(17-10-16(32-26-17)20(23,24)25)6-7-28(15)19(29)12-4-8-33(30,31)9-5-12/h1-3,10,12,15H,4-9,11H2
KEGG

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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201040
PNG
(US9233953, 1)
Show SMILES Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ncc(cn2)C(F)(F)F)c1F
Show InChI InChI=1/C21H21F5N4O3S/c22-16-3-1-2-15(18(16)23)17-12-29(20-27-10-14(11-28-20)21(24,25)26)6-7-30(17)19(31)13-4-8-34(32,33)9-5-13/h1-3,10-11,13,17H,4-9,12H2
KEGG

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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201047
PNG
(US9233953, 8)
Show SMILES Fc1ccccc1[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C21H22F4N4O3S/c22-17-4-2-1-3-16(17)18-13-28(20-26-11-15(12-27-20)21(23,24)25)7-8-29(18)19(30)14-5-9-33(31,32)10-6-14/h1-4,11-12,14,18H,5-10,13H2/t18-/s2
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201136
PNG
(US9233953, 97)
Show SMILES Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
Show InChI InChI=1/C21H25FN4O3S2/c22-19-4-3-18(30-19)17-13-25(21-23-11-16(12-24-21)14-1-2-14)7-8-26(17)20(27)15-5-9-31(28,29)10-6-15/h3-4,11-12,14-15,17H,1-2,5-10,13H2
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201070
PNG
(US9233953, 31)
Show SMILES Fc1ccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2cc(on2)C(F)(F)F)c(F)c1
Show InChI InChI=1/C20H20F5N3O4S/c21-13-1-2-14(15(22)9-13)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12/h1-2,9-10,12,16H,3-8,11H2
KEGG

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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201188
PNG
(US9233953, 150)
Show SMILES FC(F)(F)c1cc(no1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C20H22F3N3O4S/c21-20(22,23)17-12-18(24-30-17)25-8-9-26(16(13-25)14-4-2-1-3-5-14)19(27)15-6-10-31(28,29)11-7-15/h1-5,12,15-16H,6-11,13H2
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201113
PNG
(US9233953, 74)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C21H22F4N4O3S/c22-17-3-1-14(2-4-17)18-13-28(20-26-11-16(12-27-20)21(23,24)25)7-8-29(18)19(30)15-5-9-33(31,32)10-6-15/h1-4,11-12,15,18H,5-10,13H2/t18-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201110
PNG
(US9233953, 71)
Show SMILES FC(F)c1nc(no1)N1CCN(C(C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C17H19ClF2N4O4S2/c18-13-2-1-12(29-13)11-9-23(17-21-15(14(19)20)28-22-17)5-6-24(11)16(25)10-3-7-30(26,27)8-4-10/h1-2,10-11,14H,3-9H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201052
PNG
(US9233953, 13)
Show SMILES Fc1ccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ncc(cn2)C(F)(F)F)c(F)c1
Show InChI InChI=1/C21H21F5N4O3S/c22-15-1-2-16(17(23)9-15)18-12-29(20-27-10-14(11-28-20)21(24,25)26)5-6-30(18)19(31)13-3-7-34(32,33)8-4-13/h1-2,9-11,13,18H,3-8,12H2
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201041
PNG
(US9233953, 2)
Show SMILES Fc1cccc([C@@H]2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ncc(cn2)C(F)(F)F)c1F |r|
Show InChI InChI=1/C21H21F5N4O3S/c22-16-3-1-2-15(18(16)23)17-12-29(20-27-10-14(11-28-20)21(24,25)26)6-7-30(17)19(31)13-4-8-34(32,33)9-5-13/h1-3,10-11,13,17H,4-9,12H2/t17-/s2
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201053
PNG
(US9233953, 14)
Show SMILES Fc1ccc([C@@H]2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ncc(cn2)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1/C21H21F5N4O3S/c22-15-1-2-16(17(23)9-15)18-12-29(20-27-10-14(11-28-20)21(24,25)26)5-6-30(18)19(31)13-3-7-34(32,33)8-4-13/h1-2,9-11,13,18H,3-8,12H2/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201060
PNG
(US9233953, 21)
Show SMILES Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ccc(cn2)C(F)(F)F)c1F
Show InChI InChI=1/C22H22F5N3O3S/c23-17-3-1-2-16(20(17)24)18-13-29(19-5-4-15(12-28-19)22(25,26)27)8-9-30(18)21(31)14-6-10-34(32,33)11-7-14/h1-5,12,14,18H,6-11,13H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201044
PNG
(US9233953, 5)
Show SMILES Fc1cccc(c1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C21H22F4N4O3S/c22-17-3-1-2-15(10-17)18-13-28(20-26-11-16(12-27-20)21(23,24)25)6-7-29(18)19(30)14-4-8-33(31,32)9-5-14/h1-3,10-12,14,18H,4-9,13H2/t18-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201133
PNG
(US9233953, 94)
Show SMILES Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
Show InChI InChI=1/C23H27FN4O3S/c24-20-4-2-1-3-19(20)21-15-27(23-25-13-18(14-26-23)16-5-6-16)9-10-28(21)22(29)17-7-11-32(30,31)12-8-17/h1-4,13-14,16-17,21H,5-12,15H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201118
PNG
(US9233953, 79)
Show SMILES FC(F)(F)c1cc(no1)N1CCN(C(C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C18H19ClF3N3O4S2/c19-15-2-1-13(30-15)12-10-24(16-9-14(29-23-16)18(20,21)22)5-6-25(12)17(26)11-3-7-31(27,28)8-4-11/h1-2,9,11-12H,3-8,10H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201116
PNG
(US9233953, 77)
Show SMILES Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
Show InChI InChI=1/C18H19F4N3O4S2/c19-15-2-1-13(30-15)12-10-24(16-9-14(29-23-16)18(20,21)22)5-6-25(12)17(26)11-3-7-31(27,28)8-4-11/h1-2,9,11-12H,3-8,10H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201099
PNG
(US9233953, 60)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C21H22F4N4O3S/c22-16-3-1-14(2-4-16)17-13-28(19-12-26-18(11-27-19)21(23,24)25)7-8-29(17)20(30)15-5-9-33(31,32)10-6-15/h1-4,11-12,15,17H,5-10,13H2/t17-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201050
PNG
(US9233953, 11)
Show SMILES Fc1ccc(cc1F)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C21H21F5N4O3S/c22-16-2-1-14(9-17(16)23)18-12-29(20-27-10-15(11-28-20)21(24,25)26)5-6-30(18)19(31)13-3-7-34(32,33)8-4-13/h1-2,9-11,13,18H,3-8,12H2/t18-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201196
PNG
(US9233953, 158)
Show SMILES Cc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C21H24F3N3O3S2/c1-14-2-4-18(31-14)17-13-26(19-5-3-16(12-25-19)21(22,23)24)8-9-27(17)20(28)15-6-10-32(29,30)11-7-15/h2-5,12,15,17H,6-11,13H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201163
PNG
(US9233953, 123)
Show SMILES Clc1ccc(cc1)N1CCN(C(C1)c1cccs1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C20H23ClN2O3S2/c21-16-3-5-17(6-4-16)22-9-10-23(18(14-22)19-2-1-11-27-19)20(24)15-7-12-28(25,26)13-8-15/h1-6,11,15,18H,7-10,12-14H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201140
PNG
(US9233953, 101)
Show SMILES Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
Show InChI InChI=1/C23H27FN4O3S/c24-20-5-3-17(4-6-20)21-15-27(23-25-13-19(14-26-23)16-1-2-16)9-10-28(21)22(29)18-7-11-32(30,31)12-8-18/h3-6,13-14,16,18,21H,1-2,7-12,15H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201139
PNG
(US9233953, 100)
Show SMILES Cc1cnc(nc1)N1CCN(C(C1)c1ccc(F)s1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C19H23FN4O3S2/c1-13-10-21-19(22-11-13)23-6-7-24(15(12-23)16-2-3-17(20)28-16)18(25)14-4-8-29(26,27)9-5-14/h2-3,10-11,14-15H,4-9,12H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201137
PNG
(US9233953, 98)
Show SMILES Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1nnc(s1)C(F)(F)F
Show InChI InChI=1/C17H18F4N4O3S3/c18-13-2-1-12(29-13)11-9-24(16-23-22-15(30-16)17(19,20)21)5-6-25(11)14(26)10-3-7-31(27,28)8-4-10/h1-2,10-11H,3-9H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201156
PNG
(US9233953, 117)
Show SMILES Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
Show InChI InChI=1/C20H21F4N3O4S/c21-15-3-1-2-14(10-15)16-12-26(18-11-17(31-25-18)20(22,23)24)6-7-27(16)19(28)13-4-8-32(29,30)9-5-13/h1-3,10-11,13,16H,4-9,12H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201150
PNG
(US9233953, 111)
Show SMILES FC(F)(F)c1cnc(cn1)N1CCN(C(C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C19H20ClF3N4O3S2/c20-16-2-1-14(31-16)13-11-26(17-10-24-15(9-25-17)19(21,22)23)5-6-27(13)18(28)12-3-7-32(29,30)8-4-12/h1-2,9-10,12-13H,3-8,11H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201132
PNG
(US9233953, 93)
Show SMILES Clc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
Show InChI InChI=1/C21H25ClN4O3S2/c22-19-4-3-18(30-19)17-13-25(21-23-11-16(12-24-21)14-1-2-14)7-8-26(17)20(27)15-5-9-31(28,29)10-6-15/h3-4,11-12,14-15,17H,1-2,5-10,13H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201145
PNG
(US9233953, 106)
Show SMILES Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O4S/c20-14-4-2-1-3-13(14)15-11-26(18-24-17(31-25-18)19(21,22)23)7-8-27(15)16(28)12-5-9-32(29,30)10-6-12/h1-4,12,15H,5-11H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201120
PNG
(US9233953, 81)
Show SMILES Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cnc(cn1)C1CC1
Show InChI InChI=1/C23H27FN4O3S/c24-19-4-2-1-3-18(19)21-15-27(22-14-25-20(13-26-22)16-5-6-16)9-10-28(21)23(29)17-7-11-32(30,31)12-8-17/h1-4,13-14,16-17,21H,5-12,15H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201089
PNG
(US9233953, 50)
Show SMILES Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
Show InChI InChI=1/C20H21F4N3O4S/c21-15-3-1-13(2-4-15)16-12-26(18-11-17(31-25-18)20(22,23)24)7-8-27(16)19(28)14-5-9-32(29,30)10-6-14/h1-4,11,14,16H,5-10,12H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201197
PNG
(US9233953, 159)
Show SMILES Cc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1/C20H23F3N4O3S2/c1-13-2-3-17(31-13)16-12-26(19-24-10-15(11-25-19)20(21,22)23)6-7-27(16)18(28)14-4-8-32(29,30)9-5-14/h2-3,10-11,14,16H,4-9,12H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201195
PNG
(US9233953, 157)
Show SMILES Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C22H23F4N3O3S/c23-18-3-1-2-16(12-18)19-14-28(20-5-4-17(13-27-20)22(24,25)26)8-9-29(19)21(30)15-6-10-33(31,32)11-7-15/h1-5,12-13,15,19H,6-11,14H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201046
PNG
(US9233953, 7)
Show SMILES Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1/C21H22F4N4O3S/c22-17-4-2-1-3-16(17)18-13-28(20-26-11-15(12-27-20)21(23,24)25)7-8-29(18)19(30)14-5-9-33(31,32)10-6-14/h1-4,11-12,14,18H,5-10,13H2
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201121
PNG
(US9233953, 82)
Show SMILES Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
Show InChI InChI=1/C23H27FN4O3S/c24-20-3-1-2-18(12-20)21-15-27(23-25-13-19(14-26-23)16-4-5-16)8-9-28(21)22(29)17-6-10-32(30,31)11-7-17/h1-3,12-14,16-17,21H,4-11,15H2
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201131
PNG
(US9233953, 92)
Show SMILES Cc1cnc(nc1)N1CCN(C(C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C19H23ClN4O3S2/c1-13-10-21-19(22-11-13)23-6-7-24(15(12-23)16-2-3-17(20)28-16)18(25)14-4-8-29(26,27)9-5-14/h2-3,10-11,14-15H,4-9,12H2,1H3
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US Patent
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201152
PNG
(US9233953, 113)
Show SMILES Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1/C19H20F4N4O4S/c20-14-3-1-12(2-4-14)15-11-26(18-24-17(31-25-18)19(21,22)23)7-8-27(15)16(28)13-5-9-32(29,30)10-6-13/h1-4,13,15H,5-11H2
KEGG

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US Patent
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201043
PNG
(US9233953, 4)
Show SMILES Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1/C21H22F4N4O3S/c22-17-3-1-2-15(10-17)18-13-28(20-26-11-16(12-27-20)21(23,24)25)6-7-29(18)19(30)14-4-8-33(31,32)9-5-14/h1-3,10-12,14,18H,4-9,13H2
KEGG

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US Patent
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201074
PNG
(US9233953, 35)
Show SMILES Fc1ccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ccc(cn2)C(F)(F)F)c(F)c1
Show InChI InChI=1/C22H22F5N3O3S/c23-16-2-3-17(18(24)11-16)19-13-29(20-4-1-15(12-28-20)22(25,26)27)7-8-30(19)21(31)14-5-9-34(32,33)10-6-14/h1-4,11-12,14,19H,5-10,13H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201126
PNG
(US9233953, 87)
Show SMILES Cc1cnc(cn1)N1CCN(C(C1)c1ccc(F)s1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C19H23FN4O3S2/c1-13-10-22-18(11-21-13)23-6-7-24(15(12-23)16-2-3-17(20)28-16)19(25)14-4-8-29(26,27)9-5-14/h2-3,10-11,14-15H,4-9,12H2,1H3
KEGG

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US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201153
PNG
(US9233953, 114)
Show SMILES FC(F)c1nc(no1)N1CCN(C(C1)c1ccc(F)cc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C19H21F3N4O4S/c20-14-3-1-12(2-4-14)15-11-25(19-23-17(16(21)22)30-24-19)7-8-26(15)18(27)13-5-9-31(28,29)10-6-13/h1-4,13,15-16H,5-11H2
KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM201164
PNG
(US9233953, 124)
Show SMILES COc1ccc(cc1C(F)(F)F)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1/C24H27F3N2O4S/c1-33-22-8-7-19(15-20(22)24(25,26)27)28-11-12-29(21(16-28)17-5-3-2-4-6-17)23(30)18-9-13-34(31,32)14-10-18/h2-8,15,18,21H,9-14,16H2,1H3
KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
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