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USPatent US8846741

Compile data set for download or QSAR
Found 9 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))		BDBM133257
PNG
(US8846741, 3)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1ccc2CCC(C(Cc3ccccc3)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C28H34N4O3S/c1-31-19-25(16-29-31)36(33,34)30-11-12-35-24-9-7-21-8-10-28(32-17-22-14-23(22)18-32)27(26(21)15-24)13-20-5-3-2-4-6-20/h2-7,9,15-16,19,22-23,27-28,30H,8,10-14,17-18H2,1H3
PDB

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US Patent
<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133255
PNG
(US8846741, 1 | US8846741, 2)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCc1ccc2CCC(C(Cc3ccccc3)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C27H32N4O2S/c1-30-17-27(28-18-30)34(32,33)29-14-20-7-8-21-9-10-26(31-15-22-13-23(22)16-31)25(24(21)12-20)11-19-5-3-2-4-6-19/h2-8,12,17-18,22-23,25-26,29H,9-11,13-16H2,1H3
PDB

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US Patent
<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133255
PNG
(US8846741, 1 | US8846741, 2)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCc1ccc2CCC(C(Cc3ccccc3)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C27H32N4O2S/c1-30-17-27(28-18-30)34(32,33)29-14-20-7-8-21-9-10-26(31-15-22-13-23(22)16-31)25(24(21)12-20)11-19-5-3-2-4-6-19/h2-8,12,17-18,22-23,25-26,29H,9-11,13-16H2,1H3
PDB

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UniProtKB/SwissProt

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US Patent
<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133262
PNG
(US8846741, 9)
Show SMILES O=S(=O)(CC1CC1)NCc1ccc2CCC(NC3(COC3)C#N)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H31N3O3S/c27-16-26(17-32-18-26)29-25-11-10-22-9-8-21(14-28-33(30,31)15-20-6-7-20)13-23(22)24(25)12-19-4-2-1-3-5-19/h1-5,8-9,13,20,24-25,28-29H,6-7,10-12,14-15,17-18H2
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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 Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133263
PNG
(US8846741, 10)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cc2C(Cc3ccccc3)C(CCc2cc1[N+]#[C-])N1CC2CC2C1
Show InChI InChI=1S/C29H33N5O3S/c1-30-26-14-21-8-9-27(34-16-22-13-23(22)17-34)25(12-20-6-4-3-5-7-20)24(21)15-28(26)37-11-10-32-38(35,36)29-18-33(2)19-31-29/h3-7,14-15,18-19,22-23,25,27,32H,8-13,16-17H2,2H3
PDB

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US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133258
PNG
(US8846741, 5)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CCC(C(Cc3ccccc3F)c2c1)N1CC2CC2C1
Show InChI InChI=1S/C28H33FN4O3S/c1-32-17-28(30-18-32)37(34,35)31-10-11-36-23-8-6-19-7-9-27(33-15-21-12-22(21)16-33)25(24(19)14-23)13-20-4-2-3-5-26(20)29/h2-6,8,14,17-18,21-22,25,27,31H,7,9-13,15-16H2,1H3
PDB

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US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133261
PNG
(US8846741, 8)
Show SMILES O=S(=O)(NCc1ccc2CCC(NC3(COC3)C#N)C(Cc3ccccc3)c2c1)C1CCC1
Show InChI InChI=1S/C26H31N3O3S/c27-16-26(17-32-18-26)29-25-12-11-21-10-9-20(15-28-33(30,31)22-7-4-8-22)14-23(21)24(25)13-19-5-2-1-3-6-19/h1-3,5-6,9-10,14,22,24-25,28-29H,4,7-8,11-13,15,17-18H2
PDB

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US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133260
PNG
(US8846741, 7)
Show SMILES CCCS(=O)(=O)NCc1ccc2CCC(NC3(COC3)C#N)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H31N3O3S/c1-2-12-32(29,30)27-15-20-8-9-21-10-11-24(28-25(16-26)17-31-18-25)23(22(21)14-20)13-19-6-4-3-5-7-19/h3-9,14,23-24,27-28H,2,10-13,15,17-18H2,1H3
PDB

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US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM133259
PNG
(US8846741, 6)
Show SMILES CCS(=O)(=O)NCc1ccc2CCC(NC3(COC3)C#N)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C24H29N3O3S/c1-2-31(28,29)26-14-19-8-9-20-10-11-23(27-24(15-25)16-30-17-24)22(21(20)13-19)12-18-6-4-3-5-7-18/h3-9,13,22-23,26-27H,2,10-12,14,16-17H2,1H3
PDB

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UniProtKB/SwissProt

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US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing mem...

US Patent US8846741 (2014)


BindingDB Entry DOI: 10.7270/Q23T9FW8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%