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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50014132   
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 2


(Homo sapiens (Human))
BDBM50138590
PNG
(2-(7-Hydroxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl...)
Show SMILES Oc1ccc2CCN(Cc3ccccc3C(=O)NCC\C=C\c3ccccc3)Cc2c1
Show InChI InChI=1S/C27H28N2O2/c30-25-14-13-22-15-17-29(20-24(22)18-25)19-23-11-4-5-12-26(23)27(31)28-16-7-6-10-21-8-2-1-3-9-21/h1-6,8-14,18,30H,7,15-17,19-20H2,(H,28,31)/b10-6+
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n/an/a 24n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138578
PNG
(2-(7-Hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2...)
Show SMILES CC1N(Cc2ccccc2C(=O)NCC\C=C\c2ccccc2)CCc2ccc(O)cc12
Show InChI InChI=1S/C28H30N2O2/c1-21-27-19-25(31)15-14-23(27)16-18-30(21)20-24-12-5-6-13-26(24)28(32)29-17-8-7-11-22-9-3-2-4-10-22/h2-7,9-15,19,21,31H,8,16-18,20H2,1H3,(H,29,32)/b11-7+
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n/an/a 30n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138594
PNG
(2-(5-Hydroxy-1,3-dihydro-isoindol-2-ylmethyl)-N-(4...)
Show SMILES Oc1ccc2CN(Cc3ccccc3C(=O)NCC\C=C\c3ccccc3)Cc2c1
Show InChI InChI=1S/C26H26N2O2/c29-24-14-13-21-17-28(19-23(21)16-24)18-22-11-4-5-12-25(22)26(30)27-15-7-6-10-20-8-2-1-3-9-20/h1-6,8-14,16,29H,7,15,17-19H2,(H,27,30)/b10-6+
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n/an/a 33n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138558
PNG
(2-[(6-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-ylam...)
Show SMILES Oc1ccc2CC(CCc2c1)NCc1ccccc1C(=O)NCC\C=C\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c31-26-16-14-22-18-25(15-13-23(22)19-26)30-20-24-11-4-5-12-27(24)28(32)29-17-7-6-10-21-8-2-1-3-9-21/h1-6,8-12,14,16,19,25,30-31H,7,13,15,17-18,20H2,(H,29,32)/b10-6+
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n/an/a 43n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138584
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-((E...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCC\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-6,8-16,27,29H,7,17-20H2,(H,28,30)/b10-6+
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n/an/a 56n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138559
PNG
(2-(7-Hydroxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-y...)
Show SMILES Oc1ccc2CCN(Cc3ccccc3C(=O)NCC\C=C\c3ccccc3)CCc2c1
Show InChI InChI=1S/C28H30N2O2/c31-26-14-13-23-15-18-30(19-16-24(23)20-26)21-25-11-4-5-12-27(25)28(32)29-17-7-6-10-22-8-2-1-3-9-22/h1-6,8-14,20,31H,7,15-19,21H2,(H,29,32)/b10-6+
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n/an/a 58n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138556
PNG
(2-(7-Hydroxy-3-methyl-3,4-dihydro-1H-isoquinolin-2...)
Show SMILES CC1Cc2ccc(O)cc2CN1Cc1ccccc1C(=O)NCC\C=C\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-21-17-23-14-15-26(31)18-25(23)20-30(21)19-24-12-5-6-13-27(24)28(32)29-16-8-7-11-22-9-3-2-4-10-22/h2-7,9-15,18,21,31H,8,16-17,19-20H2,1H3,(H,29,32)/b11-7+
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n/an/a 67n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138565
PNG
(CHEMBL348200 | N-[4-(4-Chloro-phenyl)-butyl]-2-{[2...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN2O2/c27-23-12-8-20(9-13-23)5-3-4-17-29-26(31)25-7-2-1-6-22(25)19-28-18-16-21-10-14-24(30)15-11-21/h1-2,6-15,28,30H,3-5,16-19H2,(H,29,31)
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n/an/a 77n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138555
PNG
(2-[(6-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-ylam...)
Show SMILES Oc1ccc2CC(CCc2c1)NCc1ccccc1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O2/c31-26-16-14-22-18-25(15-13-23(22)19-26)30-20-24-11-4-5-12-27(24)28(32)29-17-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-12,14,16,19,25,30-31H,6-7,10,13,15,17-18,20H2,(H,29,32)
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n/an/a 81n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138561
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-...)
Show SMILES Cc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H32N2O2/c1-21-9-11-22(12-10-21)6-4-5-18-29-27(31)26-8-3-2-7-24(26)20-28-19-17-23-13-15-25(30)16-14-23/h2-3,7-16,28,30H,4-6,17-20H2,1H3,(H,29,31)
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n/an/a 86n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138569
PNG
(2-(7-Hydroxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl...)
Show SMILES Oc1ccc2CCN(Cc3ccccc3C(=O)NCCCCc3ccccc3)Cc2c1
Show InChI InChI=1S/C27H30N2O2/c30-25-14-13-22-15-17-29(20-24(22)18-25)19-23-11-4-5-12-26(23)27(31)28-16-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-14,18,30H,6-7,10,15-17,19-20H2,(H,28,31)
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n/an/a 89n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138572
PNG
(CHEMBL153410 | N-[4-(3-Chloro-phenyl)-butyl]-2-{[2...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H29ClN2O2/c27-23-9-5-7-21(18-23)6-3-4-16-29-26(31)25-10-2-1-8-22(25)19-28-17-15-20-11-13-24(30)14-12-20/h1-2,5,7-14,18,28,30H,3-4,6,15-17,19H2,(H,29,31)
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n/an/a 99n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138587
PNG
(CHEMBL348211 | N-[4-(3,4-Dichloro-phenyl)-butyl]-2...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C26H28Cl2N2O2/c27-24-13-10-20(17-25(24)28)5-3-4-15-30-26(32)23-7-2-1-6-21(23)18-29-16-14-19-8-11-22(31)12-9-19/h1-2,6-13,17,29,31H,3-5,14-16,18H2,(H,30,32)
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n/an/a 120n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138592
PNG
(2-(6-Hydroxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl...)
Show SMILES Oc1ccc2CN(Cc3ccccc3C(=O)NCC\C=C\c3ccccc3)CCc2c1
Show InChI InChI=1S/C27H28N2O2/c30-25-14-13-23-19-29(17-15-22(23)18-25)20-24-11-4-5-12-26(24)27(31)28-16-7-6-10-21-8-2-1-3-9-21/h1-6,8-14,18,30H,7,15-17,19-20H2,(H,28,31)/b10-6+
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n/an/a 130n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138576
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[4-...)
Show SMILES COc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H32N2O3/c1-32-25-15-11-21(12-16-25)6-4-5-18-29-27(31)26-8-3-2-7-23(26)20-28-19-17-22-9-13-24(30)14-10-22/h2-3,7-16,28,30H,4-6,17-20H2,1H3,(H,29,31)
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n/an/a 130n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138575
PNG
(2-[(2-Hydroxy-6,7,8,9-tetrahydro-5H-benzocyclohept...)
Show SMILES Oc1ccc2CC(CCCc2c1)NCc1ccccc1C(=O)NCC\C=C\c1ccccc1
Show InChI InChI=1S/C29H32N2O2/c32-27-17-16-24-19-26(14-8-13-23(24)20-27)31-21-25-12-4-5-15-28(25)29(33)30-18-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,15-17,20,26,31-32H,7-8,13-14,18-19,21H2,(H,30,33)/b11-6+
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n/an/a 130n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138562
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[4-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N2O2/c28-27(29,30)23-12-8-20(9-13-23)5-3-4-17-32-26(34)25-7-2-1-6-22(25)19-31-18-16-21-10-14-24(33)15-11-21/h1-2,6-15,31,33H,3-5,16-19H2,(H,32,34)
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n/an/a 140n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138564
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCC#Cc2ccccc2)cc1
Show InChI InChI=1S/C26H26N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-16,27,29H,7,17-20H2,(H,28,30)
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n/an/a 140n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138596
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H30N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-16,27,29H,6-7,10,17-20H2,(H,28,30)
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n/an/a 170n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138586
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-((Z...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCC\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O2/c29-24-15-13-22(14-16-24)17-19-27-20-23-11-4-5-12-25(23)26(30)28-18-7-6-10-21-8-2-1-3-9-21/h1-6,8-16,27,29H,7,17-20H2,(H,28,30)/b10-6-
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n/an/a 300n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138579
PNG
(2-(7-Hydroxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-y...)
Show SMILES Oc1ccc2CN(Cc3ccccc3C(=O)NCC\C=C\c3ccccc3)CCCc2c1
Show InChI InChI=1S/C28H30N2O2/c31-26-16-15-24-20-30(18-8-13-23(24)19-26)21-25-12-4-5-14-27(25)28(32)29-17-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,14-16,19,31H,7-8,13,17-18,20-21H2,(H,29,32)/b11-6+
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n/an/a 320n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138566
PNG
(2-{[2-(3-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-...)
Show SMILES Oc1cccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H30N2O2/c29-24-14-8-12-22(19-24)16-18-27-20-23-13-4-5-15-25(23)26(30)28-17-7-6-11-21-9-2-1-3-10-21/h1-5,8-10,12-15,19,27,29H,6-7,11,16-18,20H2,(H,28,30)
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n/an/a 330n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138554
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[4-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C27H29F3N2O3/c28-27(29,30)35-24-14-10-20(11-15-24)5-3-4-17-32-26(34)25-7-2-1-6-22(25)19-31-18-16-21-8-12-23(33)13-9-21/h1-2,6-15,31,33H,3-5,16-19H2,(H,32,34)
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n/an/a 370n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138577
PNG
(2-{[3-(4-Hydroxy-phenyl)-propylamino]-methyl}-N-(4...)
Show SMILES Oc1ccc(CCCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O2/c30-25-17-15-23(16-18-25)12-8-19-28-21-24-13-4-5-14-26(24)27(31)29-20-7-6-11-22-9-2-1-3-10-22/h1-5,9-10,13-18,28,30H,6-8,11-12,19-21H2,(H,29,31)
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n/an/a 670n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138589
PNG
(2-[(4-Hydroxy-benzylamino)-methyl]-N-(4-phenyl-but...)
Show SMILES Oc1ccc(CNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O2/c28-23-15-13-21(14-16-23)18-26-19-22-11-4-5-12-24(22)25(29)27-17-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-16,26,28H,6-7,10,17-19H2,(H,27,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138585
PNG
(2-{[2-(2-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-...)
Show SMILES Oc1ccccc1CCNCc1ccccc1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C26H30N2O2/c29-25-16-7-5-13-22(25)17-19-27-20-23-14-4-6-15-24(23)26(30)28-18-9-8-12-21-10-2-1-3-11-21/h1-7,10-11,13-16,27,29H,8-9,12,17-20H2,(H,28,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138567
PNG
(2-{[2-(4-Methoxy-phenyl)-ethylamino]-methyl}-N-(4-...)
Show SMILES COc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O2/c1-31-25-16-14-23(15-17-25)18-20-28-21-24-12-5-6-13-26(24)27(30)29-19-8-7-11-22-9-3-2-4-10-22/h2-6,9-10,12-17,28H,7-8,11,18-21H2,1H3,(H,29,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50404282
PNG
(CHEMBL2112891)
Show SMILES CN(Cc1ccccc1C(=O)NCC\C=C\c1ccccc1)C1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C29H32N2O2/c1-31(26-16-14-24-20-27(32)17-15-23(24)19-26)21-25-12-5-6-13-28(25)29(33)30-18-8-7-11-22-9-3-2-4-10-22/h2-7,9-13,15,17,20,26,32H,8,14,16,18-19,21H2,1H3,(H,30,33)/b11-7+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138557
PNG
(2-({[2-(4-Hydroxy-phenyl)-ethyl]-methyl-amino}-met...)
Show SMILES CN(CCc1ccc(O)cc1)Cc1ccccc1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c1-29(20-18-23-14-16-25(30)17-15-23)21-24-12-5-6-13-26(24)27(31)28-19-8-7-11-22-9-3-2-4-10-22/h2-6,9-10,12-17,30H,7-8,11,18-21H2,1H3,(H,28,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138591
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(3-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCOc2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O3/c28-22-13-11-20(12-14-22)15-17-26-19-21-7-4-5-10-24(21)25(29)27-16-6-18-30-23-8-2-1-3-9-23/h1-5,7-14,26,28H,6,15-19H2,(H,27,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138583
PNG
(2-[(4-Methoxy-benzylamino)-methyl]-N-(4-phenyl-but...)
Show SMILES COc1ccc(CNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H30N2O2/c1-30-24-16-14-22(15-17-24)19-27-20-23-12-5-6-13-25(23)26(29)28-18-8-7-11-21-9-3-2-4-10-21/h2-6,9-10,12-17,27H,7-8,11,18-20H2,1H3,(H,28,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138593
PNG
(2-(8-Hydroxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-y...)
Show SMILES Oc1ccc2CCCN(Cc3ccccc3C(=O)NCC\C=C\c3ccccc3)Cc2c1
Show InChI InChI=1S/C28H30N2O2/c31-26-16-15-23-13-8-18-30(21-25(23)19-26)20-24-12-4-5-14-27(24)28(32)29-17-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,14-16,19,31H,7-8,13,17-18,20-21H2,(H,29,32)/b11-6+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138552
PNG
(CHEMBL150409 | N-[4-(4-Hydroxy-phenyl)-butyl]-2-{[...)
Show SMILES Oc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H30N2O3/c29-23-12-8-20(9-13-23)5-3-4-17-28-26(31)25-7-2-1-6-22(25)19-27-18-16-21-10-14-24(30)15-11-21/h1-2,6-15,27,29-30H,3-5,16-19H2,(H,28,31)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138573
PNG
(2-{[2-(4-Fluoro-phenyl)-ethylamino]-methyl}-N-(4-p...)
Show SMILES Fc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H29FN2O/c27-24-15-13-22(14-16-24)17-19-28-20-23-11-4-5-12-25(23)26(30)29-18-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-16,28H,6-7,10,17-20H2,(H,29,30)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138563
PNG
(2-[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-ylam...)
Show SMILES Oc1ccc2CCC(Cc2c1)NCc1ccccc1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O2/c31-26-16-14-22-13-15-25(18-24(22)19-26)30-20-23-11-4-5-12-27(23)28(32)29-17-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-12,14,16,19,25,30-31H,6-7,10,13,15,17-18,20H2,(H,29,32)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138582
PNG
(2-{[2-(4-Amino-phenyl)-ethylamino]-methyl}-N-(4-ph...)
Show SMILES Nc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H31N3O/c27-24-15-13-22(14-16-24)17-19-28-20-23-11-4-5-12-25(23)26(30)29-18-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-16,28H,6-7,10,17-20,27H2,(H,29,30)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138553
PNG
(CHEMBL421793 | N-(4-Phenyl-butyl)-2-{[2-(4-trifluo...)
Show SMILES FC(F)(F)c1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H29F3N2O/c28-27(29,30)24-15-13-22(14-16-24)17-19-31-20-23-11-4-5-12-25(23)26(33)32-18-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-16,31H,6-7,10,17-20H2,(H,32,33)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138570
PNG
(2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-1-ylam...)
Show SMILES Oc1cccc2C(CCCc12)NCc1ccccc1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O2/c31-27-18-9-15-24-25(27)16-8-17-26(24)30-20-22-13-4-5-14-23(22)28(32)29-19-7-6-12-21-10-2-1-3-11-21/h1-5,9-11,13-15,18,26,30-31H,6-8,12,16-17,19-20H2,(H,29,32)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138560
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[3-...)
Show SMILES CN(CCCNC(=O)c1ccccc1CNCCc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O2/c1-29(23-9-3-2-4-10-23)19-7-17-28-26(31)25-11-6-5-8-22(25)20-27-18-16-21-12-14-24(30)15-13-21/h2-6,8-15,27,30H,7,16-20H2,1H3,(H,28,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138588
PNG
(CHEMBL150722 | N-Benzyl-2-{[2-(4-hydroxy-phenyl)-e...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C23H24N2O2/c26-21-12-10-18(11-13-21)14-15-24-17-20-8-4-5-9-22(20)23(27)25-16-19-6-2-1-3-7-19/h1-13,24,26H,14-17H2,(H,25,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138581
PNG
(2-[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-1-ylam...)
Show SMILES Oc1ccc2CCCC(NCc3ccccc3C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C28H32N2O2/c31-24-17-16-22-13-8-15-27(26(22)19-24)30-20-23-12-4-5-14-25(23)28(32)29-18-7-6-11-21-9-2-1-3-10-21/h1-5,9-10,12,14,16-17,19,27,30-31H,6-8,11,13,15,18,20H2,(H,29,32)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138595
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-phe...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C24H26N2O2/c27-22-12-10-20(11-13-22)14-16-25-18-21-8-4-5-9-23(21)24(28)26-17-15-19-6-2-1-3-7-19/h1-13,25,27H,14-18H2,(H,26,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138571
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(3-...)
Show SMILES Oc1ccc(CCNCc2ccccc2C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O2/c28-23-14-12-21(13-15-23)16-18-26-19-22-10-4-5-11-24(22)25(29)27-17-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-15,26,28H,6,9,16-19H2,(H,27,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138574
PNG
(3-[(4-Methoxy-benzylamino)-methyl]-N-(4-phenyl-but...)
Show SMILES COc1ccc(CNCc2cccc(c2)C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H30N2O2/c1-30-25-15-13-22(14-16-25)19-27-20-23-11-7-12-24(18-23)26(29)28-17-6-5-10-21-8-3-2-4-9-21/h2-4,7-9,11-16,18,27H,5-6,10,17,19-20H2,1H3,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50138580
PNG
(2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-met...)
Show SMILES CN(CCCCc1ccccc1)C(=O)c1ccccc1CNCCc1ccc(O)cc1
Show InChI InChI=1S/C27H32N2O2/c1-29(20-8-7-11-22-9-3-2-4-10-22)27(31)26-13-6-5-12-24(26)21-28-19-18-23-14-16-25(30)17-15-23/h2-6,9-10,12-17,28,30H,7-8,11,18-21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair