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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 853   
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
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294256
PNG
(Cis-N-(1-(4-benzyl-3-(methylamino)chroman-6-yl)aze...)
Show SMILES CNC1COc2ccc(cc2C1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CC1CC1
Show InChI InChI=1S/C24H31N3O3S/c1-25-23-15-30-24-10-9-20(12-22(24)21(23)11-17-5-3-2-4-6-17)27-13-19(14-27)26-31(28,29)16-18-7-8-18/h2-6,9-10,12,18-19,21,23,25-26H,7-8,11,13-16H2,1H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294270
PNG
(US9586945, 21)
Show SMILES N[C@@H]1COc2ccc(cc2[C@@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CC1CC1
Show InChI InChI=1S/C23H29N3O3S/c24-22-14-29-23-9-8-19(11-21(23)20(22)10-16-4-2-1-3-5-16)26-12-18(13-26)25-30(27,28)15-17-6-7-17/h1-5,8-9,11,17-18,20,22,25H,6-7,10,12-15,24H2/t20-,22+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294268
PNG
( trans-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chro...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CC1CC1
Show InChI InChI=1S/C24H30FN3O3S/c1-26-22-14-31-24-11-21(25)23(10-20(24)19(22)9-16-5-3-2-4-6-16)28-12-18(13-28)27-32(29,30)15-17-7-8-17/h2-6,10-11,17-19,22,26-27H,7-9,12-15H2,1H3/t19-,22-/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294267
PNG
( Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroma...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CC1CC1
Show InChI InChI=1S/C24H30FN3O3S/c1-26-22-14-31-24-11-21(25)23(10-20(24)19(22)9-16-5-3-2-4-6-16)28-12-18(13-28)27-32(29,30)15-17-7-8-17/h2-6,10-11,17-19,22,26-27H,7-9,12-15H2,1H3/t19-,22+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294266
PNG
(US9586945, 18b | trans-N-(1-(4-benzyl-7-fluoro-3-(...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)c1cn(C)nn1
Show InChI InChI=1S/C23H27FN6O3S/c1-25-20-14-33-22-10-19(24)21(9-18(22)17(20)8-15-6-4-3-5-7-15)30-11-16(12-30)27-34(31,32)23-13-29(2)28-26-23/h3-7,9-10,13,16-17,20,25,27H,8,11-12,14H2,1-2H3/t17-,20-/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294265
PNG
(Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)c1cn(C)nn1
Show InChI InChI=1S/C23H27FN6O3S/c1-25-20-14-33-22-10-19(24)21(9-18(22)17(20)8-15-6-4-3-5-7-15)30-11-16(12-30)27-34(31,32)23-13-29(2)28-26-23/h3-7,9-10,13,16-17,20,25,27H,8,11-12,14H2,1-2H3/t17-,20+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294264
PNG
(US9586945, 17b | trans-N-(1-(4-benzyl-7-fluoro-3-(...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H28FN5O3S/c1-26-22-15-33-24-10-21(25)23(9-20(24)19(22)8-16-6-4-3-5-7-16)30-12-17(13-30)28-34(31,32)18-11-27-29(2)14-18/h3-7,9-11,14,17,19,22,26,28H,8,12-13,15H2,1-2H3/t19-,22-/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294263
PNG
( Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroma...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H28FN5O3S/c1-26-22-15-33-24-10-21(25)23(9-20(24)19(22)8-16-6-4-3-5-7-16)30-12-17(13-30)28-34(31,32)18-11-27-29(2)14-18/h3-7,9-11,14,17,19,22,26,28H,8,12-13,15H2,1-2H3/t19-,22+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294262
PNG
(US9586945, 16b | trans-N-(1-(4-benzyl-7-fluoro-3-(...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1cc2[C@@H](Cc3ccccc3)[C@@H](COc2cc1F)NC
Show InChI InChI=1S/C23H30FN3O3S/c1-3-9-31(28,29)26-17-13-27(14-17)22-11-19-18(10-16-7-5-4-6-8-16)21(25-2)15-30-23(19)12-20(22)24/h4-8,11-12,17-18,21,25-26H,3,9-10,13-15H2,1-2H3/t18-,21-/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294261
PNG
( Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroma...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1cc2[C@H](Cc3ccccc3)[C@@H](COc2cc1F)NC
Show InChI InChI=1S/C23H30FN3O3S/c1-3-9-31(28,29)26-17-13-27(14-17)22-11-19-18(10-16-7-5-4-6-8-16)21(25-2)15-30-23(19)12-20(22)24/h4-8,11-12,17-18,21,25-26H,3,9-10,13-15H2,1-2H3/t18-,21+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294260
PNG
(US9586945, 15b | trans-N-(1-(4-benzyl-7-fluoro-3-(...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C24H28FN5O3S/c1-26-21-14-33-23-10-20(25)22(9-19(23)18(21)8-16-6-4-3-5-7-16)30-11-17(12-30)28-34(31,32)24-13-29(2)15-27-24/h3-7,9-10,13,15,17-18,21,26,28H,8,11-12,14H2,1-2H3/t18-,21-/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294259
PNG
( Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroma...)
Show SMILES CN[C@@H]1COc2cc(F)c(cc2[C@@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C24H28FN5O3S/c1-26-21-14-33-23-10-20(25)22(9-19(23)18(21)8-16-6-4-3-5-7-16)30-11-17(12-30)28-34(31,32)24-13-29(2)15-27-24/h3-7,9-10,13,15,17-18,21,26,28H,8,11-12,14H2,1-2H3/t18-,21+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294256
PNG
(Cis-N-(1-(4-benzyl-3-(methylamino)chroman-6-yl)aze...)
Show SMILES CNC1COc2ccc(cc2C1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CC1CC1
Show InChI InChI=1S/C24H31N3O3S/c1-25-23-15-30-24-10-9-20(12-22(24)21(23)11-17-5-3-2-4-6-17)27-13-19(14-27)26-31(28,29)16-18-7-8-18/h2-6,9-10,12,18-19,21,23,25-26H,7-8,11,13-16H2,1H3
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294254
PNG
(Cis-N-(1-(4-benzyl-3-(methylamino)chroman-6-yl)aze...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OCC(NC)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H31N3O3S/c1-3-11-30(27,28)25-18-14-26(15-18)19-9-10-23-21(13-19)20(22(24-2)16-29-23)12-17-7-5-4-6-8-17/h4-10,13,18,20,22,24-25H,3,11-12,14-16H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294249
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzylchroman-6-yl)a...)
Show SMILES Cn1cc(nn1)S(=O)(=O)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C25H30N6O3S/c1-29-16-25(26-28-29)35(32,33)27-19-14-31(15-19)20-8-9-24-22(13-20)21(12-18-6-3-2-4-7-18)23(17-34-24)30-10-5-11-30/h2-4,6-9,13,16,19,21,23,27H,5,10-12,14-15,17H2,1H3
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294244
PNG
( N-[1-[3-(azetidin-1-yl)-4-benzyl-chroman-6-yl]aze...)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H31N5O3S/c1-29-16-26(27-18-29)35(32,33)28-20-14-31(15-20)21-8-9-25-23(13-21)22(12-19-6-3-2-4-7-19)24(17-34-25)30-10-5-11-30/h2-4,6-9,13,16,18,20,22,24,28H,5,10-12,14-15,17H2,1H3
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294276
PNG
(Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1cc2C(Cc3ccccc3)C(COc2cc1F)NC
Show InChI InChI=1S/C23H30FN3O3S/c1-3-9-31(28,29)26-17-13-27(14-17)22-11-19-18(10-16-7-5-4-6-8-16)21(25-2)15-30-23(19)12-20(22)24/h4-8,11-12,17-18,21,25-26H,3,9-10,13-15H2,1-2H3
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<10n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294271
PNG
( Cis-N-(1-(4-benzyl-3-(methylamino)chroman-6-yl)az...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OC[C@@H](NC)[C@@H](Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H31N3O3S/c1-3-11-30(27,28)25-18-14-26(15-18)19-9-10-23-21(13-19)20(22(24-2)16-29-23)12-17-7-5-4-6-8-17/h4-10,13,18,20,22,24-25H,3,11-12,14-16H2,1-2H3/t20-,22+/m0/s1
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<10n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294253
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzylchroman-6-yl)a...)
Show SMILES Fc1ncccc1S(=O)(=O)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C27H29FN4O3S/c28-27-26(8-4-11-29-27)36(33,34)30-20-16-32(17-20)21-9-10-25-23(15-21)22(14-19-6-2-1-3-7-19)24(18-35-25)31-12-5-13-31/h1-4,6-11,15,20,22,24,30H,5,12-14,16-18H2
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294258
PNG
(US9586945, 14b | trans-N-(1-(4-benzyl-7-fluoro-3-(...)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1cc2[C@@H](Cc3ccccc3)[C@@H](COc2cc1F)NC
Show InChI InChI=1S/C22H28FN3O3S/c1-3-30(27,28)25-16-12-26(13-16)21-10-18-17(9-15-7-5-4-6-8-15)20(24-2)14-29-22(18)11-19(21)23/h4-8,10-11,16-17,20,24-25H,3,9,12-14H2,1-2H3/t17-,20-/m1/s1
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294275
PNG
(Cis-1-(4-benzyl-7-fluoro-6-(3-(5-fluoropyridine-3-...)
Show SMILES Fc1cncc(c1)S(=O)(=O)NC1CN(C1)c1cc2[C@H](Cc3ccccc3)[C@@H](COc2cc1F)[NH+]1CCC1
Show InChI InChI=1S/C27H28F2N4O3S/c28-19-10-21(14-30-13-19)37(34,35)31-20-15-33(16-20)25-11-23-22(9-18-5-2-1-3-6-18)26(32-7-4-8-32)17-36-27(23)12-24(25)29/h1-3,5-6,10-14,20,22,26,31H,4,7-9,15-17H2/p+1/t22-,26+/m0/s1
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294255
PNG
(Cis-N-(1-(-4-benzyl-3-(methylamino)chroman-6-yl)az...)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1ccc2OCC(NC)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H29N3O3S/c1-3-29(26,27)24-17-13-25(14-17)18-9-10-22-20(12-18)19(21(23-2)15-28-22)11-16-7-5-4-6-8-16/h4-10,12,17,19,21,23-24H,3,11,13-15H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294276
PNG
(Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1cc2C(Cc3ccccc3)C(COc2cc1F)NC
Show InChI InChI=1S/C23H30FN3O3S/c1-3-9-31(28,29)26-17-13-27(14-17)22-11-19-18(10-16-7-5-4-6-8-16)21(25-2)15-30-23(19)12-20(22)24/h4-8,11-12,17-18,21,25-26H,3,9-10,13-15H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294278
PNG
(Cis-N-(1-(4-benzyl-3-(propylamino)chroman-6-yl)aze...)
Show SMILES CCCNC1COc2ccc(cc2C1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CCC
Show InChI InChI=1S/C25H35N3O3S/c1-3-12-26-24-18-31-25-11-10-21(28-16-20(17-28)27-32(29,30)13-4-2)15-23(25)22(24)14-19-8-6-5-7-9-19/h5-11,15,20,22,24,26-27H,3-4,12-14,16-18H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294279
PNG
(Cis-N-(1-(4-benzyl-3-(diethylamino)chroman-6-yl)az...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N(CC)CC
Show InChI InChI=1S/C26H37N3O3S/c1-4-14-33(30,31)27-21-17-29(18-21)22-12-13-26-24(16-22)23(15-20-10-8-7-9-11-20)25(19-32-26)28(5-2)6-3/h7-13,16,21,23,25,27H,4-6,14-15,17-19H2,1-3H3
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294250
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzyl-7-fluorochrom...)
Show SMILES CCn1cc(nn1)S(=O)(=O)NC1CN(C1)c1cc2[C@H](Cc3ccccc3)[C@@H](COc2cc1F)N1CCC1
Show InChI InChI=1S/C26H31FN6O3S/c1-2-33-16-26(28-30-33)37(34,35)29-19-14-32(15-19)23-12-21-20(11-18-7-4-3-5-8-18)24(31-9-6-10-31)17-36-25(21)13-22(23)27/h3-5,7-8,12-13,16,19-20,24,29H,2,6,9-11,14-15,17H2,1H3/t20-,24+/m0/s1
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<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294257
PNG
(Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman...)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1cc2[C@H](Cc3ccccc3)[C@@H](COc2cc1F)NC
Show InChI InChI=1S/C22H28FN3O3S/c1-3-30(27,28)25-16-12-26(13-16)21-10-18-17(9-15-7-5-4-6-8-15)20(24-2)14-29-22(18)11-19(21)23/h4-8,10-11,16-17,20,24-25H,3,9,12-14H2,1-2H3/t17-,20+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294248
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzylchroman-6-yl)a...)
Show SMILES Cn1cc(cn1)S(=O)(=O)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H31N5O3S/c1-29-17-22(14-27-29)35(32,33)28-20-15-31(16-20)21-8-9-26-24(13-21)23(12-19-6-3-2-4-7-19)25(18-34-26)30-10-5-11-30/h2-4,6-9,13-14,17,20,23,25,28H,5,10-12,15-16,18H2,1H3
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294247
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzylchroman-6-yl)a...)
Show SMILES O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H33N3O3S/c30-33(31,18-20-7-8-20)27-21-15-29(16-21)22-9-10-26-24(14-22)23(13-19-5-2-1-3-6-19)25(17-32-26)28-11-4-12-28/h1-3,5-6,9-10,14,20-21,23,25,27H,4,7-8,11-13,15-18H2
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294246
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzylchroman-6-yl)a...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OCC(C(Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C25H33N3O3S/c1-2-13-32(29,30)26-20-16-28(17-20)21-9-10-25-23(15-21)22(14-19-7-4-3-5-8-19)24(18-31-25)27-11-6-12-27/h3-5,7-10,15,20,22,24,26H,2,6,11-14,16-18H2,1H3
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294269
PNG
(US9586945, 20)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OC[C@@H](N)[C@@H](Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H29N3O3S/c1-2-10-29(26,27)24-17-13-25(14-17)18-8-9-22-20(12-18)19(21(23)15-28-22)11-16-6-4-3-5-7-16/h3-9,12,17,19,21,24H,2,10-11,13-15,23H2,1H3/t19-,21+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294281
PNG
( Cis-N-(1-(4-benzyl-3-(cyclobutylamino)chroman-6-y...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OC[C@@H](NC3CCC3)[C@@H](Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H35N3O3S/c1-2-13-33(30,31)28-21-16-29(17-21)22-11-12-26-24(15-22)23(14-19-7-4-3-5-8-19)25(18-32-26)27-20-9-6-10-20/h3-5,7-8,11-12,15,20-21,23,25,27-28H,2,6,9-10,13-14,16-18H2,1H3/t23-,25+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294274
PNG
(Cis-N-(1-(4-benzyl-3-(methylamino)chroman-6-yl)aze...)
Show SMILES CN[C@@H]1COc2ccc(cc2[C@@H]1Cc1ccccc1)N1CC(C1)NS(=O)(=O)CC1CC1
Show InChI InChI=1S/C24H31N3O3S/c1-25-23-15-30-24-10-9-20(12-22(24)21(23)11-17-5-3-2-4-6-17)27-13-19(14-27)26-31(28,29)16-18-7-8-18/h2-6,9-10,12,18-19,21,23,25-26H,7-8,11,13-16H2,1H3/t21-,23+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294245
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzylchroman-6-yl)a...)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1ccc2OC[C@H]([C@@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C24H31N3O3S/c1-2-31(28,29)25-19-15-27(16-19)20-9-10-24-22(14-20)21(13-18-7-4-3-5-8-18)23(17-30-24)26-11-6-12-26/h3-5,7-10,14,19,21,23,25H,2,6,11-13,15-17H2,1H3/t21-,23+/m0/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294280
PNG
(Cis-N-(1-(4-benzyl-3-((cyclopropylmethyl)amino)chr...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OCC(NCC3CC3)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H35N3O3S/c1-2-12-33(30,31)28-21-16-29(17-21)22-10-11-26-24(14-22)23(13-19-6-4-3-5-7-19)25(18-32-26)27-15-20-8-9-20/h3-7,10-11,14,20-21,23,25,27-28H,2,8-9,12-13,15-18H2,1H3
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<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294251
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzyl-7-fluorochrom...)
Show SMILES Fc1cc2OC[C@H]([C@@H](Cc3ccccc3)c2cc1N1CC(C1)NS(=O)(=O)c1cccnc1F)N1CCC1
Show InChI InChI=1S/C27H28F2N4O3S/c28-22-14-25-21(20(12-18-6-2-1-3-7-18)24(17-36-25)32-10-5-11-32)13-23(22)33-15-19(16-33)31-37(34,35)26-8-4-9-30-27(26)29/h1-4,6-9,13-14,19-20,24,31H,5,10-12,15-17H2/t20-,24+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294271
PNG
( Cis-N-(1-(4-benzyl-3-(methylamino)chroman-6-yl)az...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OC[C@@H](NC)[C@@H](Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H31N3O3S/c1-3-11-30(27,28)25-18-14-26(15-18)19-9-10-23-21(13-19)20(22(24-2)16-29-23)12-17-7-5-4-6-8-17/h4-10,13,18,20,22,24-25H,3,11-12,14-16H2,1-2H3/t20-,22+/m0/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294252
PNG
(Cis-N-(1-(3-(azetidin-1-yl)-4-benzyl-7-fluorochrom...)
Show SMILES Fc1cc2OCC(C(Cc3ccccc3)c2cc1N1CC(C1)NS(=O)(=O)c1cccnn1)N1CCC1
Show InChI InChI=1S/C26H28FN5O3S/c27-22-14-25-21(20(12-18-6-2-1-3-7-18)24(17-35-25)31-10-5-11-31)13-23(22)32-15-19(16-32)30-36(33,34)26-8-4-9-28-29-26/h1-4,6-9,13-14,19-20,24,30H,5,10-12,15-17H2
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair