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PubMed code 18752953

Compile data set for download or QSAR
Found 111 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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by patch-clamp assay


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a>2.91E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a>2.91E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a>2.91E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a>2.91E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a>2.91E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265304
PNG
(1-(4-(4-(2-(cyclohexylamino)-5-nitrobenzoyl)pipera...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2NC2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C25H29FN4O4/c1-17(31)18-7-10-24(22(26)15-18)28-11-13-29(14-12-28)25(32)21-16-20(30(33)34)8-9-23(21)27-19-5-3-2-4-6-19/h7-10,15-16,19,27H,2-6,11-14H2,1H3
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n/an/an/an/a 8.50E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264980
PNG
((4-(3-fluoro-4-(trifluoromethyl)phenyl)piperazin-1...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N4O4/c23-19-14-15(1-3-18(19)22(24,25)26)27-5-7-29(8-6-27)21(31)17-13-16(30(32)33)2-4-20(17)28-9-11-34-12-10-28/h1-4,13-14H,5-12H2
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n/an/an/an/a 37n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264936
PNG
(4-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)b...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H23N5O4/c23-16-17-1-3-18(4-2-17)24-7-9-26(10-8-24)22(28)20-15-19(27(29)30)5-6-21(20)25-11-13-31-14-12-25/h1-6,15H,7-14H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265174
PNG
(1-(3-fluoro-4-(4-(5-(methylsulfonyl)-2-morpholinob...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28FN3O5S/c1-17(29)18-3-5-23(21(25)15-18)26-7-9-28(10-8-26)24(30)20-16-19(34(2,31)32)4-6-22(20)27-11-13-33-14-12-27/h3-6,15-16H,7-14H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265100
PNG
((4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-...)
Show SMILES CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCCCC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30FN3O5S2/c1-34(30,31)18-6-8-22(26-10-4-3-5-11-26)20(16-18)24(29)28-14-12-27(13-15-28)23-9-7-19(17-21(23)25)35(2,32)33/h6-9,16-17H,3-5,10-15H2,1-2H3
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n/an/an/an/a 46n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264736
PNG
((2-morpholino-5-nitrophenyl)(4-o-tolylpiperazin-1-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-4-2-3-5-20(17)23-8-10-25(11-9-23)22(27)19-16-18(26(28)29)6-7-21(19)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264863
PNG
((4-(3-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN4O4/c22-16-2-1-3-17(14-16)23-6-8-25(9-7-23)21(27)19-15-18(26(28)29)4-5-20(19)24-10-12-30-13-11-24/h1-5,14-15H,6-13H2
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n/an/an/an/a 3.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264861
PNG
((4-(3-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-19-4-2-3-17(15-19)23-7-9-25(10-8-23)22(27)20-16-18(26(28)29)5-6-21(20)24-11-13-31-14-12-24/h2-6,15-16H,7-14H2,1H3
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n/an/an/an/a 8.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264899
PNG
((2-morpholino-5-nitrophenyl)(4-p-tolylpiperazin-1-...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-2-4-18(5-3-17)23-8-10-25(11-9-23)22(27)20-16-19(26(28)29)6-7-21(20)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 2.90E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264898
PNG
((4-(4-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-31-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265271
PNG
(1-(4-(4-(2-amino-5-nitrobenzoyl)piperazin-1-yl)-3-...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H19FN4O4/c1-12(25)13-2-5-18(16(20)10-13)22-6-8-23(9-7-22)19(26)15-11-14(24(27)28)3-4-17(15)21/h2-5,10-11H,6-9,21H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264734
PNG
(1-(3-fluoro-4-(4-(3'-fluoro-4-(methylsulfonyl)biph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2cccc(F)c2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H24F2N2O4S/c1-17(31)18-6-9-25(24(28)15-18)29-10-12-30(13-11-29)26(32)23-16-21(35(2,33)34)7-8-22(23)19-4-3-5-20(27)14-19/h3-9,14-16H,10-13H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264978
PNG
(2-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4/c24-23(25,26)17-1-3-20(16(13-17)15-27)28-5-7-30(8-6-28)22(32)19-14-18(31(33)34)2-4-21(19)29-9-11-35-12-10-29/h1-4,13-14H,5-12H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264862
PNG
((2-morpholino-5-nitrophenyl)(4-m-tolylpiperazin-1-...)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-3-2-4-18(15-17)23-7-9-25(10-8-23)22(27)20-16-19(26(28)29)5-6-21(20)24-11-13-30-14-12-24/h2-6,15-16H,7-14H2,1H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264901
PNG
((2-morpholino-5-nitrophenyl)(4-(4-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)16-1-3-17(4-2-16)26-7-9-28(10-8-26)21(30)19-15-18(29(31)32)5-6-20(19)27-11-13-33-14-12-27/h1-6,15H,7-14H2
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n/an/an/an/a 3.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265305
PNG
(1-(3-fluoro-4-(4-(5-nitro-2-(piperidin-1-yl)benzoy...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C24H27FN4O4/c1-17(30)18-5-7-23(21(25)15-18)27-11-13-28(14-12-27)24(31)20-16-19(29(32)33)6-8-22(20)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265215
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-(propylsulfonyl)b...)
Show SMILES CCCS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O
Show InChI InChI=1S/C26H32FN3O5S/c1-3-16-36(33,34)21-5-7-24(29-12-14-35-15-13-29)22(18-21)26(32)30-10-8-28(9-11-30)25-6-4-20(19(2)31)17-23(25)27/h4-7,17-18H,3,8-16H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264978
PNG
(2-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4/c24-23(25,26)17-1-3-20(16(13-17)15-27)28-5-7-30(8-6-28)22(32)19-14-18(31(33)34)2-4-21(19)29-9-11-35-12-10-29/h1-4,13-14H,5-12H2
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n/an/an/an/a 15n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264771
PNG
((2-morpholino-5-nitrophenyl)(4-(2-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)18-3-1-2-4-20(18)26-7-9-28(10-8-26)21(30)17-15-16(29(31)32)5-6-19(17)27-11-13-33-14-12-27/h1-6,15H,7-14H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265172
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-(trifluoromethyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H25F4N3O3/c1-16(32)17-2-4-22(20(25)14-17)29-6-8-31(9-7-29)23(33)19-15-18(24(26,27)28)3-5-21(19)30-10-12-34-13-11-30/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264737
PNG
((4-(2-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H23ClN4O4/c22-18-3-1-2-4-20(18)23-7-9-25(10-8-23)21(27)17-15-16(26(28)29)5-6-19(17)24-11-13-30-14-12-24/h1-6,15H,7-14H2
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n/an/an/an/a 1.12E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265055
PNG
((4'-fluoro-4-(methylsulfonyl)biphenyl-2-yl)(4-(4-(...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F4N2O3S/c1-35(33,34)21-10-11-22(17-2-6-19(26)7-3-17)23(16-21)24(32)31-14-12-30(13-15-31)20-8-4-18(5-9-20)25(27,28)29/h2-11,16H,12-15H2,1H3
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n/an/an/an/a 29n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264863
PNG
((4-(3-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN4O4/c22-16-2-1-3-17(14-16)23-6-8-25(9-7-23)21(27)19-15-18(26(28)29)4-5-20(19)24-10-12-30-13-11-24/h1-5,14-15H,6-13H2
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n/an/an/an/a 700n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265096
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)pipe...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C23H25FN4O5/c1-16(29)17-2-4-22(20(24)14-17)25-6-8-27(9-7-25)23(30)19-15-18(28(31)32)3-5-21(19)26-10-12-33-13-11-26/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 15n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265307
PNG
(1-(3-fluoro-4-(4-(2-isopropoxy-5-(methylsulfonyl)b...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN2O5S/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265306
PNG
(1-(4-(4-(2-(cyclohexylmethylamino)-5-nitrobenzoyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2NCC2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C26H31FN4O4/c1-18(32)20-7-10-25(23(27)15-20)29-11-13-30(14-12-29)26(33)22-16-21(31(34)35)8-9-24(22)28-17-19-5-3-2-4-6-19/h7-10,15-16,19,28H,2-6,11-14,17H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265217
PNG
(1-(3-fluoro-4-(4-(3-nitrobenzoyl)piperazin-1-yl)ph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cccc(c2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H18FN3O4/c1-13(24)14-5-6-18(17(20)12-14)21-7-9-22(10-8-21)19(25)15-3-2-4-16(11-15)23(26)27/h2-6,11-12H,7-10H2,1H3
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n/an/an/an/a 3.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265019
PNG
((2-isopropoxy-5-(methylsulfonyl)phenyl)(4-(4-(trif...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H25F3N2O4S/c1-15(2)31-20-9-8-18(32(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)17-6-4-16(5-7-17)22(23,24)25/h4-9,14-15H,10-13H2,1-3H3
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n/an/an/an/a 82n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265214
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H27FN4O5S/c1-16(29)17-2-4-22(20(24)14-17)26-6-8-28(9-7-26)23(30)19-15-18(34(25,31)32)3-5-21(19)27-10-12-33-13-11-27/h2-5,14-15H,6-13H2,1H3,(H2,25,31,32)
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264938
PNG
(3-fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C22H22FN5O4/c23-19-13-16(15-24)1-3-21(19)25-5-7-27(8-6-25)22(29)18-14-17(28(30)31)2-4-20(18)26-9-11-32-12-10-26/h1-4,13-14H,5-12H2
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n/an/an/an/a 4.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264737
PNG
((4-(2-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H23ClN4O4/c22-18-3-1-2-4-20(18)23-7-9-25(10-8-23)21(27)17-15-16(26(28)29)5-6-19(17)24-11-13-30-14-12-24/h1-6,15H,7-14H2
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n/an/an/an/a 1.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264864
PNG
((2-morpholino-5-nitrophenyl)(4-(3-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)16-2-1-3-17(14-16)26-6-8-28(9-7-26)21(30)19-15-18(29(31)32)4-5-20(19)27-10-12-33-13-11-27/h1-5,14-15H,6-13H2
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n/an/an/an/a 300n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264901
PNG
((2-morpholino-5-nitrophenyl)(4-(4-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)16-1-3-17(4-2-16)26-7-9-28(10-8-26)21(30)19-15-18(29(31)32)5-6-20(19)27-11-13-33-14-12-27/h1-6,15H,7-14H2
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n/an/an/an/a 100n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264900
PNG
((4-(4-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN4O4/c22-16-1-3-17(4-2-16)23-7-9-25(10-8-23)21(27)19-15-18(26(28)29)5-6-20(19)24-11-13-30-14-12-24/h1-6,15H,7-14H2
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n/an/an/an/a 310n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264981
PNG
((4-(6-chloro-5-(trifluoromethyl)pyridin-2-yl)piper...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(c(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3N5O4/c22-19-16(21(23,24)25)2-4-18(26-19)28-5-7-29(8-6-28)20(31)15-13-14(30(32)33)1-3-17(15)27-9-11-34-12-10-27/h1-4,13H,5-12H2
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n/an/an/an/a 2.40E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265273
PNG
(1-(4-(4-(2-(dimethylamino)-5-nitrobenzoyl)piperazi...)
Show SMILES CN(C)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C21H23FN4O4/c1-14(27)15-4-6-20(18(22)12-15)24-8-10-25(11-9-24)21(28)17-13-16(26(29)30)5-7-19(17)23(2)3/h4-7,12-13H,8-11H2,1-3H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265016
PNG
((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piper...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3N5O4/c22-17-11-14(21(23,24)25)13-26-19(17)28-3-5-29(6-4-28)20(31)16-12-15(30(32)33)1-2-18(16)27-7-9-34-10-8-27/h1-2,11-13H,3-10H2
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n/an/an/an/a 47n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265017
PNG
((5-(methylsulfonyl)-2-morpholinophenyl)(4-(4-(trif...)
Show SMILES CS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O4S/c1-34(31,32)19-6-7-21(28-12-14-33-15-13-28)20(16-19)22(30)29-10-8-27(9-11-29)18-4-2-17(3-5-18)23(24,25)26/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 45n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265307
PNG
(1-(3-fluoro-4-(4-(2-isopropoxy-5-(methylsulfonyl)b...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN2O5S/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3
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n/an/an/an/a 39n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265345
PNG
(1-(4-(4-(2-sec-butoxy-5-(methylsulfonyl)benzoyl)pi...)
Show SMILES CCC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H29FN2O5S/c1-5-16(2)32-23-9-7-19(33(4,30)31)15-20(23)24(29)27-12-10-26(11-13-27)22-8-6-18(17(3)28)14-21(22)25/h6-9,14-16H,5,10-13H2,1-4H3
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n/an/an/an/a 9n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265347
PNG
(1-(3-fluoro-4-(4-(2-(isopropylthio)-5-(methylsulfo...)
Show SMILES CC(C)Sc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN2O4S2/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3
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n/an/an/an/a 15n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265133
PNG
(1-(3-fluoro-4-(4-(2-morpholinobenzoyl)piperazin-1-...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-6-7-22(20(24)16-18)25-8-10-27(11-9-25)23(29)19-4-2-3-5-21(19)26-12-14-30-15-13-26/h2-7,16H,8-15H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265134
PNG
(1-(4-(4-(5-amino-2-morpholinobenzoyl)piperazin-1-y...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(N)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C23H27FN4O3/c1-16(29)17-2-4-22(20(24)14-17)26-6-8-28(9-7-26)23(30)19-15-18(25)3-5-21(19)27-10-12-31-13-11-27/h2-5,14-15H,6-13,25H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265016
PNG
((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piper...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3N5O4/c22-17-11-14(21(23,24)25)13-26-19(17)28-3-5-29(6-4-28)20(31)16-12-15(30(32)33)1-2-18(16)27-7-9-34-10-8-27/h1-2,11-13H,3-10H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265215
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-(propylsulfonyl)b...)
Show SMILES CCCS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O
Show InChI InChI=1S/C26H32FN3O5S/c1-3-16-36(33,34)21-5-7-24(29-12-14-35-15-13-29)22(18-21)26(32)30-10-8-28(9-11-30)25-6-4-20(19(2)31)17-23(25)27/h4-7,17-18H,3,8-16H2,1-2H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264936
PNG
(4-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)b...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H23N5O4/c23-16-17-1-3-18(4-2-17)24-7-9-26(10-8-24)22(28)20-15-19(27(29)30)5-6-21(20)25-11-13-31-14-12-25/h1-6,15H,7-14H2
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n/an/an/an/a 78n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264937
PNG
((4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)(2-mor...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O6S/c1-33(30,31)19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-32-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 110n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265097
PNG
(3-fluoro-4-(4-(5-(methylsulfonyl)-2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H27FN4O3S/c1-33(31,32)19-6-8-22(27-9-3-2-4-10-27)20(16-19)24(30)29-13-11-28(12-14-29)23-7-5-18(17-26)15-21(23)25/h5-8,15-16H,2-4,9-14H2,1H3
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n/an/an/an/a 12n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264939
PNG
((4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-...)
Show SMILES CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C22H25FN4O6S/c1-34(31,32)17-3-5-21(19(23)15-17)24-6-8-26(9-7-24)22(28)18-14-16(27(29)30)2-4-20(18)25-10-12-33-13-11-25/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 40n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265054
PNG
((4-(methylsulfonyl)biphenyl-2-yl)(4-(4-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-34(32,33)21-11-12-22(18-5-3-2-4-6-18)23(17-21)24(31)30-15-13-29(14-16-30)20-9-7-19(8-10-20)25(26,27)28/h2-12,17H,13-16H2,1H3
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n/an/an/an/a 31n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265096
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)pipe...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C23H25FN4O5/c1-16(29)17-2-4-22(20(24)14-17)25-6-8-27(9-7-25)23(30)19-15-18(28(31)32)3-5-21(19)26-10-12-33-13-11-26/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 4.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265056
PNG
((2-cyclohexyl-5-(methylsulfonyl)phenyl)(4-(4-(trif...)
Show SMILES CS(=O)(=O)c1ccc(C2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O3S/c1-34(32,33)21-11-12-22(18-5-3-2-4-6-18)23(17-21)24(31)30-15-13-29(14-16-30)20-9-7-19(8-10-20)25(26,27)28/h7-12,17-18H,2-6,13-16H2,1H3
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n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265134
PNG
(1-(4-(4-(5-amino-2-morpholinobenzoyl)piperazin-1-y...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(N)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C23H27FN4O3/c1-16(29)17-2-4-22(20(24)14-17)26-6-8-28(9-7-26)23(30)19-15-18(25)3-5-21(19)27-10-12-31-13-11-27/h2-5,14-15H,6-13,25H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264864
PNG
((2-morpholino-5-nitrophenyl)(4-(3-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)16-2-1-3-17(14-16)26-6-8-28(9-7-26)21(30)19-15-18(29(31)32)4-5-20(19)27-10-12-33-13-11-27/h1-5,14-15H,6-13H2
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n/an/an/an/a 400n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265271
PNG
(1-(4-(4-(2-amino-5-nitrobenzoyl)piperazin-1-yl)-3-...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H19FN4O4/c1-12(25)13-2-5-18(16(20)10-13)22-6-8-23(9-7-22)19(26)15-11-14(24(27)28)3-4-17(15)21/h2-5,10-11H,6-9,21H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264898
PNG
((4-(4-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-31-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.14E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264900
PNG
((4-(4-chlorophenyl)piperazin-1-yl)(2-morpholino-5-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN4O4/c22-16-1-3-17(4-2-16)23-7-9-25(10-8-23)21(27)19-15-18(26(28)29)5-6-20(19)24-11-13-30-14-12-24/h1-6,15H,7-14H2
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n/an/an/an/a 1.17E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265272
PNG
(1-(3-fluoro-4-(4-(2-(methylamino)-5-nitrobenzoyl)p...)
Show SMILES CNc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C20H21FN4O4/c1-13(26)14-3-6-19(17(21)11-14)23-7-9-24(10-8-23)20(27)16-12-15(25(28)29)4-5-18(16)22-2/h3-6,11-12,22H,7-10H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265217
PNG
(1-(3-fluoro-4-(4-(3-nitrobenzoyl)piperazin-1-yl)ph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cccc(c2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H18FN3O4/c1-13(24)14-5-6-18(17(20)12-14)21-7-9-22(10-8-21)19(25)15-3-2-4-16(11-15)23(26)27/h2-6,11-12H,7-10H2,1H3
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n/an/an/an/a 2.45E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265138
PNG
((4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-...)
Show SMILES CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccccc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H25FN2O5S2/c1-34(30,31)19-8-10-21(18-6-4-3-5-7-18)22(16-19)25(29)28-14-12-27(13-15-28)24-11-9-20(17-23(24)26)35(2,32)33/h3-11,16-17H,12-15H2,1-2H3
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n/an/an/an/a 57n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264938
PNG
(3-fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C22H22FN5O4/c23-19-13-16(15-24)1-3-21(19)25-5-7-27(8-6-25)22(29)18-14-17(28(30)31)2-4-20(18)26-9-11-32-12-10-26/h1-4,13-14H,5-12H2
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n/an/an/an/a 30n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265173
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C#N)c(F)c1
Show InChI InChI=1S/C24H25FN4O3/c1-17(30)19-3-5-23(21(25)15-19)27-6-8-29(9-7-27)24(31)20-14-18(16-26)2-4-22(20)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 1.30E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265099
PNG
(3-fluoro-4-(4-(4-(methylsulfonyl)biphenylcarbonyl)...)
Show SMILES CS(=O)(=O)c1ccc(-c2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H22FN3O3S/c1-33(31,32)20-8-9-21(19-5-3-2-4-6-19)22(16-20)25(30)29-13-11-28(12-14-29)24-10-7-18(17-27)15-23(24)26/h2-10,15-16H,11-14H2,1H3
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n/an/an/an/a 20n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265173
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C#N)c(F)c1
Show InChI InChI=1S/C24H25FN4O3/c1-17(30)19-3-5-23(21(25)15-19)27-6-8-29(9-7-27)24(31)20-14-18(16-26)2-4-22(20)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 180n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264735
PNG
((4-(2-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-21-5-3-2-4-20(21)23-8-10-25(11-9-23)22(27)18-16-17(26(28)29)6-7-19(18)24-12-14-31-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265274
PNG
(1-(3-fluoro-4-(4-(2-(isopropylamino)-5-nitrobenzoy...)
Show SMILES CC(C)Nc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C22H25FN4O4/c1-14(2)24-20-6-5-17(27(30)31)13-18(20)22(29)26-10-8-25(9-11-26)21-7-4-16(15(3)28)12-19(21)23/h4-7,12-14,24H,8-11H2,1-3H3
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n/an/an/an/a 2n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265273
PNG
(1-(4-(4-(2-(dimethylamino)-5-nitrobenzoyl)piperazi...)
Show SMILES CN(C)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C21H23FN4O4/c1-14(27)15-4-6-20(18(22)12-15)24-8-10-25(11-9-24)21(28)17-13-16(26(29)30)5-7-19(17)23(2)3/h4-7,12-13H,8-11H2,1-3H3
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n/an/an/an/a 500n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264734
PNG
(1-(3-fluoro-4-(4-(3'-fluoro-4-(methylsulfonyl)biph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2cccc(F)c2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H24F2N2O4S/c1-17(31)18-6-9-25(24(28)15-18)29-10-12-30(13-11-29)26(32)23-16-21(35(2,33)34)7-8-22(23)19-4-3-5-20(27)14-19/h3-9,14-16H,10-13H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265216
PNG
(1-(4-(4-(5-(benzylsulfonyl)-2-morpholinobenzoyl)pi...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(=O)(=O)Cc2ccccc2)c(F)c1
Show InChI InChI=1S/C30H32FN3O5S/c1-22(35)24-7-9-29(27(31)19-24)32-11-13-34(14-12-32)30(36)26-20-25(8-10-28(26)33-15-17-39-18-16-33)40(37,38)21-23-5-3-2-4-6-23/h2-10,19-20H,11-18,21H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265346
PNG
(1-(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2OCC2CC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H27FN2O5S/c1-16(28)18-5-7-22(21(25)13-18)26-9-11-27(12-10-26)24(29)20-14-19(33(2,30)31)6-8-23(20)32-15-17-3-4-17/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3
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n/an/an/an/a 15n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264981
PNG
((4-(6-chloro-5-(trifluoromethyl)pyridin-2-yl)piper...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(c(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3N5O4/c22-19-16(21(23,24)25)2-4-18(26-19)28-5-7-29(8-6-28)20(31)15-13-14(30(32)33)1-3-17(15)27-9-11-34-12-10-27/h1-4,13H,5-12H2
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n/an/an/an/a 33n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265137
PNG
((2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl)(...)
Show SMILES CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2OCC2CC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H27FN2O6S2/c1-33(28,29)17-6-8-22(32-15-16-3-4-16)19(13-17)23(27)26-11-9-25(10-12-26)21-7-5-18(14-20(21)24)34(2,30)31/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3
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n/an/an/an/a 52n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264937
PNG
((4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)(2-mor...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O6S/c1-33(30,31)19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-32-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 2.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265174
PNG
(1-(3-fluoro-4-(4-(5-(methylsulfonyl)-2-morpholinob...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28FN3O5S/c1-17(29)18-3-5-23(21(25)15-18)26-7-9-28(10-8-26)24(30)20-16-19(34(2,31)32)4-6-22(20)27-11-13-33-14-12-27/h3-6,15-16H,7-14H2,1-2H3
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n/an/an/an/a 70n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265272
PNG
(1-(3-fluoro-4-(4-(2-(methylamino)-5-nitrobenzoyl)p...)
Show SMILES CNc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C20H21FN4O4/c1-13(26)14-3-6-19(17(21)11-14)23-7-9-24(10-8-23)20(27)16-12-15(25(28)29)4-5-18(16)22-2/h3-6,11-12,22H,7-10H2,1-2H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264735
PNG
((4-(2-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-21-5-3-2-4-20(21)23-8-10-25(11-9-23)22(27)18-16-17(26(28)29)6-7-19(18)24-12-14-31-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.34E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265053
PNG
((2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl)(...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4S/c1-33(30,31)19-8-9-21(32-15-16-2-3-16)20(14-19)22(29)28-12-10-27(11-13-28)18-6-4-17(5-7-18)23(24,25)26/h4-9,14,16H,2-3,10-13,15H2,1H3
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n/an/an/an/a 40n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264979
PNG
((4-(2-fluoro-4-(trifluoromethyl)phenyl)piperazin-1...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N4O4/c23-18-13-15(22(24,25)26)1-3-20(18)27-5-7-29(8-6-27)21(31)17-14-16(30(32)33)2-4-19(17)28-9-11-34-12-10-28/h1-4,13-14H,5-12H2
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n/an/an/an/a 2.90E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264980
PNG
((4-(3-fluoro-4-(trifluoromethyl)phenyl)piperazin-1...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N4O4/c23-19-14-15(1-3-18(19)22(24,25)26)27-5-7-29(8-6-27)21(31)17-13-16(30(32)33)2-4-20(17)28-9-11-34-12-10-28/h1-4,13-14H,5-12H2
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n/an/an/an/a 1.50E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264861
PNG
((4-(3-methoxyphenyl)piperazin-1-yl)(2-morpholino-5...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5/c1-30-19-4-2-3-17(15-19)23-7-9-25(10-8-23)22(27)20-16-18(26(28)29)5-6-21(20)24-11-13-31-14-12-24/h2-6,15-16H,7-14H2,1H3
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n/an/an/an/a 530n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265304
PNG
(1-(4-(4-(2-(cyclohexylamino)-5-nitrobenzoyl)pipera...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2NC2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C25H29FN4O4/c1-17(31)18-7-10-24(22(26)15-18)28-11-13-29(14-12-28)25(32)21-16-20(30(33)34)8-9-23(21)27-19-5-3-2-4-6-19/h7-10,15-16,19,27H,2-6,11-14H2,1H3
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n/an/an/an/a 2n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265305
PNG
(1-(3-fluoro-4-(4-(5-nitro-2-(piperidin-1-yl)benzoy...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCCCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C24H27FN4O4/c1-17(30)18-5-7-23(21(25)15-18)27-11-13-28(14-12-27)24(31)20-16-19(29(32)33)6-8-22(20)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3
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n/an/an/an/a 1n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265216
PNG
(1-(4-(4-(5-(benzylsulfonyl)-2-morpholinobenzoyl)pi...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(=O)(=O)Cc2ccccc2)c(F)c1
Show InChI InChI=1S/C30H32FN3O5S/c1-22(35)24-7-9-29(27(31)19-24)32-11-13-34(14-12-32)30(36)26-20-25(8-10-28(26)33-15-17-39-18-16-33)40(37,38)21-23-5-3-2-4-6-23/h2-10,19-20H,11-18,21H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265018
PNG
((5-(methylsulfonyl)-2-(piperidin-1-yl)phenyl)(4-(4...)
Show SMILES CS(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H28F3N3O3S/c1-34(32,33)20-9-10-22(29-11-3-2-4-12-29)21(17-20)23(31)30-15-13-28(14-16-30)19-7-5-18(6-8-19)24(25,26)27/h5-10,17H,2-4,11-16H2,1H3
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n/an/an/an/a 75n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265136
PNG
(1-(4-(4-(5-bromo-2-morpholinobenzoyl)piperazin-1-y...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(Br)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C23H25BrFN3O3/c1-16(29)17-2-4-22(20(25)14-17)26-6-8-28(9-7-26)23(30)19-15-18(24)3-5-21(19)27-10-12-31-13-11-27/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265348
PNG
(1-(3-fluoro-4-(4-(4-(methylsulfonyl)biphenylcarbon...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccccc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H25FN2O4S/c1-18(30)20-8-11-25(24(27)16-20)28-12-14-29(15-13-28)26(31)23-17-21(34(2,32)33)9-10-22(23)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3
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n/an/an/an/a 69n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265135
PNG
(1-(3-fluoro-4-(4-(5-methyl-2-morpholinobenzoyl)pip...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(C)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C24H28FN3O3/c1-17-3-5-22(27-11-13-31-14-12-27)20(15-17)24(30)28-9-7-26(8-10-28)23-6-4-19(18(2)29)16-21(23)25/h3-6,15-16H,7-14H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264862
PNG
((2-morpholino-5-nitrophenyl)(4-m-tolylpiperazin-1-...)
Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-3-2-4-18(15-17)23-7-9-25(10-8-23)22(27)20-16-19(26(28)29)5-6-21(20)24-11-13-30-14-12-24/h2-6,15-16H,7-14H2,1H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265345
PNG
(1-(4-(4-(2-sec-butoxy-5-(methylsulfonyl)benzoyl)pi...)
Show SMILES CCC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H29FN2O5S/c1-5-16(2)32-23-9-7-19(33(4,30)31)15-20(23)24(29)27-12-10-26(11-13-27)22-8-6-18(17(3)28)14-21(22)25/h6-9,14-16H,5,10-13H2,1-4H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265136
PNG
(1-(4-(4-(5-bromo-2-morpholinobenzoyl)piperazin-1-y...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(Br)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C23H25BrFN3O3/c1-16(29)17-2-4-22(20(25)14-17)26-6-8-28(9-7-26)23(30)19-15-18(24)3-5-21(19)27-10-12-31-13-11-27/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 5.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265135
PNG
(1-(3-fluoro-4-(4-(5-methyl-2-morpholinobenzoyl)pip...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(C)ccc2N2CCOCC2)c(F)c1
Show InChI InChI=1S/C24H28FN3O3/c1-17-3-5-22(27-11-13-31-14-12-27)20(15-17)24(30)28-9-7-26(8-10-28)23-6-4-19(18(2)29)16-21(23)25/h3-6,15-16H,7-14H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264899
PNG
((2-morpholino-5-nitrophenyl)(4-p-tolylpiperazin-1-...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-2-4-18(5-3-17)23-8-10-25(11-9-23)22(27)20-16-19(26(28)29)6-7-21(20)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 7.70E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264979
PNG
((4-(2-fluoro-4-(trifluoromethyl)phenyl)piperazin-1...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N4O4/c23-18-13-15(22(24,25)26)1-3-20(18)27-5-7-29(8-6-27)21(31)17-14-16(30(32)33)2-4-19(17)28-9-11-34-12-10-28/h1-4,13-14H,5-12H2
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n/an/an/an/a 41n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265214
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H27FN4O5S/c1-16(29)17-2-4-22(20(24)14-17)26-6-8-28(9-7-26)23(30)19-15-18(34(25,31)32)3-5-21(19)27-10-12-33-13-11-27/h2-5,14-15H,6-13H2,1H3,(H2,25,31,32)
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n/an/an/an/a 120n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264939
PNG
((4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-...)
Show SMILES CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C22H25FN4O6S/c1-34(31,32)17-3-5-21(19(23)15-17)24-6-8-26(9-7-24)22(28)18-14-16(27(29)30)2-4-20(18)25-10-12-33-13-11-25/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265175
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O
Show InChI InChI=1S/C24H29FN4O5S/c1-17(30)18-3-5-23(21(25)15-18)27-7-9-29(10-8-27)24(31)20-16-19(35(32,33)26-2)4-6-22(20)28-11-13-34-14-12-28/h3-6,15-16,26H,7-14H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265172
PNG
(1-(3-fluoro-4-(4-(2-morpholino-5-(trifluoromethyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H25F4N3O3/c1-16(32)17-2-4-22(20(25)14-17)29-6-8-31(9-7-29)23(33)19-15-18(24(26,27)28)3-5-21(19)30-10-12-34-13-11-30/h2-5,14-15H,6-13H2,1H3
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n/an/an/an/a 2.60E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265175
PNG
(3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbony...)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O
Show InChI InChI=1S/C24H29FN4O5S/c1-17(30)18-3-5-23(21(25)15-18)27-7-9-29(10-8-27)24(31)20-16-19(35(32,33)26-2)4-6-22(20)28-11-13-34-14-12-28/h3-6,15-16,26H,7-14H2,1-2H3
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n/an/an/an/a 100n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50264736
PNG
((2-morpholino-5-nitrophenyl)(4-o-tolylpiperazin-1-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O4/c1-17-4-2-3-5-20(17)23-8-10-25(11-9-23)22(27)19-16-18(26(28)29)6-7-21(19)24-12-14-30-15-13-24/h2-7,16H,8-15H2,1H3
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n/an/an/an/a 1.42E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265346
PNG
(1-(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2OCC2CC2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H27FN2O5S/c1-16(28)18-5-7-22(21(25)13-18)26-9-11-27(12-10-26)24(29)20-14-19(33(2,30)31)6-8-23(20)32-15-17-3-4-17/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265348
PNG
(1-(3-fluoro-4-(4-(4-(methylsulfonyl)biphenylcarbon...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccccc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H25FN2O4S/c1-18(30)20-8-11-25(24(27)16-20)28-12-14-29(15-13-28)26(31)23-17-21(34(2,32)33)9-10-22(23)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265347
PNG
(1-(3-fluoro-4-(4-(2-(isopropylthio)-5-(methylsulfo...)
Show SMILES CC(C)Sc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN2O4S2/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50264771
PNG
((2-morpholino-5-nitrophenyl)(4-(2-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O4/c23-22(24,25)18-3-1-2-4-20(18)26-7-9-28(10-8-26)21(30)17-15-16(29(31)32)5-6-19(17)27-11-13-33-14-12-27/h1-6,15H,7-14H2
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n/an/an/an/a 7.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265274
PNG
(1-(3-fluoro-4-(4-(2-(isopropylamino)-5-nitrobenzoy...)
Show SMILES CC(C)Nc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C22H25FN4O4/c1-14(2)24-20-6-5-17(27(30)31)13-18(20)22(29)26-10-8-25(9-11-26)21-7-4-16(15(3)28)12-19(21)23/h4-7,12-14,24H,8-11H2,1-3H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter


Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%