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Patent code US9586942

Compile Data Set for Download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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)
BDBM294243
PNG
(N-(1-((7S,8R)-8-benzyl-7-(3-azabicyclo[3.1.0]hexan...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C28H37N3O2S/c1-2-12-34(32,33)29-24-18-30(19-24)25-10-8-21-9-11-28(31-16-22-14-23(22)17-31)27(26(21)15-25)13-20-6-4-3-5-7-20/h3-8,10,15,22-24,27-29H,2,9,11-14,16-19H2,1H3/t22?,23?,27-,28+/m1/s1
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US Patent
<10n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294231
PNG
(US9586942, 5*)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H35N3O2S/c1-2-15-32(30,31)27-22-18-29(19-22)23-11-9-21-10-12-26(28-13-6-14-28)25(24(21)17-23)16-20-7-4-3-5-8-20/h3-5,7-9,11,17,22,25-27H,2,6,10,12-16,18-19H2,1H3/t25-,26+/m1/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294242
PNG
(N-(1-((7S,8R)-8-benzyl-7-(3-azabicyclo[3.1.0]hexan...)
Show SMILES Cn1cc(nn1)S(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C28H34N6O2S/c1-32-18-28(29-31-32)37(35,36)30-23-16-33(17-23)24-9-7-20-8-10-27(34-14-21-12-22(21)15-34)26(25(20)13-24)11-19-5-3-2-4-6-19/h2-7,9,13,18,21-23,26-27,30H,8,10-12,14-17H2,1H3/t21?,22?,26-,27+/m1/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294238
PNG
(N-((1R,3r)-3-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N[C@H]1C[C@@H](C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C28H34N4O2S/c1-31-18-28(29-19-31)35(33,34)30-24-15-23(16-24)22-9-8-21-10-11-27(32-12-5-13-32)26(25(21)17-22)14-20-6-3-2-4-7-20/h2-4,6-9,17-19,23-24,26-27,30H,5,10-16H2,1H3/t23-,24-,26-,27+/m1/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294227
PNG
(US9586942, 1)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C27H33N5O2S/c1-30-18-27(28-19-30)35(33,34)29-22-16-32(17-22)23-10-8-21-9-11-26(31-12-5-13-31)25(24(21)15-23)14-20-6-3-2-4-7-20/h2-4,6-8,10,15,18-19,22,25-26,29H,5,9,11-14,16-17H2,1H3/t25-,26+/m1/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294228
PNG
(N-(1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-t...)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C27H33N5O2S/c1-30-18-27(28-19-30)35(33,34)29-22-16-32(17-22)23-10-8-21-9-11-26(31-12-5-13-31)25(24(21)15-23)14-20-6-3-2-4-7-20/h2-4,6-8,10,15,18-19,22,25-26,29H,5,9,11-14,16-17H2,1H3/t25-,26+/m1/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294237
PNG
(US9586942, 11*)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC1CCN(CC1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C29H37N5O2S/c1-32-20-29(30-21-32)37(35,36)31-24-12-16-33(17-13-24)25-10-8-23-9-11-28(34-14-5-15-34)27(26(23)19-25)18-22-6-3-2-4-7-22/h2-4,6-8,10,19-21,24,27-28,31H,5,9,11-18H2,1H3/t27-,28+/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294235
PNG
(US9586942, 9*)
Show SMILES Cn1cnc(c1)S(=O)(=O)N[C@@H]1CCN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C28H35N5O2S/c1-31-19-28(29-20-31)36(34,35)30-23-12-15-33(18-23)24-10-8-22-9-11-27(32-13-5-14-32)26(25(22)17-24)16-21-6-3-2-4-7-21/h2-4,6-8,10,17,19-20,23,26-27,30H,5,9,11-16,18H2,1H3/t23-,26-,27+/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294239
PNG
(N-((1 S,3s)-3-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N[C@H]1C[C@H](C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C28H34N4O2S/c1-31-18-28(29-19-31)35(33,34)30-24-15-23(16-24)22-9-8-21-10-11-27(32-12-5-13-32)26(25(21)17-22)14-20-6-3-2-4-7-20/h2-4,6-9,17-19,23-24,26-27,30H,5,10-16H2,1H3/t23-,24+,26-,27+/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294233
PNG
(US9586942, 7*)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC1(C)CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C28H35N5O2S/c1-28(30-36(34,35)27-17-31(2)20-29-27)18-33(19-28)23-11-9-22-10-12-26(32-13-6-14-32)25(24(22)16-23)15-21-7-4-3-5-8-21/h3-5,7-9,11,16-17,20,25-26,30H,6,10,12-15,18-19H2,1-2H3/t25-,26+/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294240
PNG
(N-((S)-1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7...)
Show SMILES CCCS(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C27H35N3O3S/c1-2-17-34(32,33)28-25-13-16-30(27(25)31)22-11-9-21-10-12-26(29-14-6-15-29)24(23(21)19-22)18-20-7-4-3-5-8-20/h3-5,7-9,11,19,24-26,28H,2,6,10,12-18H2,1H3/t24-,25+,26+/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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294230
PNG
(US9586942, 4*)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C25H33N3O2S/c1-2-31(29,30)26-21-17-28(18-21)22-11-9-20-10-12-25(27-13-6-14-27)24(23(20)16-22)15-19-7-4-3-5-8-19/h3-5,7-9,11,16,21,24-26H,2,6,10,12-15,17-18H2,1H3/t24-,25+/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294241
PNG
(N-(1-((7S,8R)-8-benzyl-7-(3-azabicyclo[3.1.0]hexan...)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C29H35N5O2S/c1-32-18-29(30-19-32)37(35,36)31-24-16-33(17-24)25-9-7-21-8-10-28(34-14-22-12-23(22)15-34)27(26(21)13-25)11-20-5-3-2-4-6-20/h2-7,9,13,18-19,22-24,27-28,31H,8,10-12,14-17H2,1H3/t22?,23?,27-,28+/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294229
PNG
(US9586942, 3*)
Show SMILES CS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C24H31N3O2S/c1-30(28,29)25-20-16-27(17-20)21-10-8-19-9-11-24(26-12-5-13-26)23(22(19)15-21)14-18-6-3-2-4-7-18/h2-4,6-8,10,15,20,23-25H,5,9,11-14,16-17H2,1H3/t23-,24+/m1/s1
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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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294236
PNG
(N-((S)-1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N[C@H]1CCN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C28H35N5O2S/c1-31-19-28(29-20-31)36(34,35)30-23-12-15-33(18-23)24-10-8-22-9-11-27(32-13-5-14-32)26(25(22)17-24)16-21-6-3-2-4-7-21/h2-4,6-8,10,17,19-20,23,26-27,30H,5,9,11-16,18H2,1H3/t23-,26+,27-/m0/s1
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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
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294232
PNG
(N-(1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-t...)
Show SMILES FC1(F)Oc2ccc(cc2O1)S(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C30H31F2N3O4S/c31-30(32)38-28-12-10-24(17-29(28)39-30)40(36,37)33-22-18-35(19-22)23-9-7-21-8-11-27(34-13-4-14-34)26(25(21)16-23)15-20-5-2-1-3-6-20/h1-3,5-7,9-10,12,16-17,22,26-27,33H,4,8,11,13-15,18-19H2/t26-,27+/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM294234
PNG
(N-(1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-t...)
Show SMILES CCS(=O)(=O)NC1(C)CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H35N3O2S/c1-3-32(30,31)27-26(2)18-29(19-26)22-12-10-21-11-13-25(28-14-7-15-28)24(23(21)17-22)16-20-8-5-4-6-9-20/h4-6,8-10,12,17,24-25,27H,3,7,11,13-16,18-19H2,1-2H3/t24-,25+/m1/s1
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AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersha...


US Patent US9586942 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%