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USPatent US9051280

Compile data set for download or QSAR
Found 10 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
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162237
PNG
(US9051280, 195)
Show SMILES CCS(=O)(=O)NCCOc1ccc2CC[C@@H](CN)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H30N2O3S/c1-2-28(25,26)24-12-13-27-20-11-10-18-8-9-19(16-23)21(22(18)15-20)14-17-6-4-3-5-7-17/h3-7,10-11,15,19,21,24H,2,8-9,12-14,16,23H2,1H3/t19-,21+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162245
PNG
(US9051280, 203)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCc1ccc2CC[C@@H](CN3CCC3)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C26H32N4O2S/c1-29-18-26(27-19-29)33(31,32)28-16-21-8-9-22-10-11-23(17-30-12-5-13-30)25(24(22)15-21)14-20-6-3-2-4-7-20/h2-4,6-9,15,18-19,23,25,28H,5,10-14,16-17H2,1H3/t23-,25+/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
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...

US Patent US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162239
PNG
(US9051280, 197)
Show SMILES CNC[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C25H32N4O3S/c1-26-16-21-9-8-20-10-11-22(15-24(20)23(21)14-19-6-4-3-5-7-19)32-13-12-28-33(30,31)25-17-29(2)18-27-25/h3-7,10-11,15,17-18,21,23,26,28H,8-9,12-14,16H2,1-2H3/t21-,23+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162241
PNG
(US9051280, 199)
Show SMILES CNC[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O3S/c1-26-17-22-10-9-21-11-12-23(30-14-13-27-31(28,29)18-20-7-8-20)16-25(21)24(22)15-19-5-3-2-4-6-19/h2-6,11-12,16,20,22,24,26-27H,7-10,13-15,17-18H2,1H3/t22-,24+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162238
PNG
(US9051280, 196)
Show SMILES NC[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O3S/c25-16-21-9-8-20-10-11-22(29-13-12-26-30(27,28)17-19-6-7-19)15-24(20)23(21)14-18-4-2-1-3-5-18/h1-5,10-11,15,19,21,23,26H,6-9,12-14,16-17,25H2/t21-,23+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162244
PNG
(US9051280, 202)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H](CN3CCC3)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C27H34N4O3S/c1-30-19-27(28-20-30)35(32,33)29-12-15-34-24-11-10-22-8-9-23(18-31-13-5-14-31)25(26(22)17-24)16-21-6-3-2-4-7-21/h2-4,6-7,10-11,17,19-20,23,25,29H,5,8-9,12-16,18H2,1H3/t23-,25+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162240
PNG
(US9051280, 198)
Show SMILES CCS(=O)(=O)NCCOc1ccc2CC[C@@H](CNC)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C23H32N2O3S/c1-3-29(26,27)25-13-14-28-21-12-11-19-9-10-20(17-24-2)22(23(19)16-21)15-18-7-5-4-6-8-18/h4-8,11-12,16,20,22,24-25H,3,9-10,13-15,17H2,1-2H3/t20-,22+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162243
PNG
(US9051280, 201)
Show SMILES O=S(=O)(CC1CC1)NCCOc1ccc2CC[C@@H](CN3CCC3)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C27H36N2O3S/c30-33(31,20-22-7-8-22)28-13-16-32-25-12-11-23-9-10-24(19-29-14-4-15-29)26(27(23)18-25)17-21-5-2-1-3-6-21/h1-3,5-6,11-12,18,22,24,26,28H,4,7-10,13-17,19-20H2/t24-,26+/m0/s1
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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162236
PNG
(US9051280, 194)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H](CN)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C24H30N4O3S/c1-28-16-24(26-17-28)32(29,30)27-11-12-31-21-10-9-19-7-8-20(15-25)22(23(19)14-21)13-18-5-3-2-4-6-18/h2-6,9-10,14,16-17,20,22,27H,7-8,11-13,15,25H2,1H3/t20-,22+/m0/s1
PDB

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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM162242
PNG
(US9051280, 200)
Show SMILES CCS(=O)(=O)NCCOc1ccc2CC[C@@H](CN3CCC3)[C@@H](Cc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C25H34N2O3S/c1-2-31(28,29)26-13-16-30-23-12-11-21-9-10-22(19-27-14-6-15-27)24(25(21)18-23)17-20-7-4-3-5-8-20/h3-5,7-8,11-12,18,22,24,26H,2,6,9-10,13-17,19H2,1H3/t22-,24+/m0/s1
PDB

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US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

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 US9051280 (2015)


BindingDB Entry DOI: 10.7270/Q2930RXN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%