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PubMed code 16246557

Compile data set for download or QSAR
Found 75 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175902
PNG
(1-phenyl-8-((cis,1R,2R)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175903
PNG
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175898
PNG
(1-(4-chloro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50175920
PNG
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175920
PNG
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1
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n/an/a 540n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175907
PNG
(1-pentyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H37N3O/c1-2-3-9-16-27-19-25-23(28)24(27)14-17-26(18-15-24)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-6,10-11,21-22H,2-3,7-9,12-19H2,1H3,(H,25,28)/t21-,22-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50175894
PNG
(1-phenethyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-...)
Show SMILES O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-6,9-12,24-25H,7-8,13-21H2,(H,28,31)/t24-,25-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50175902
PNG
(1-phenyl-8-((cis,1R,2R)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50175898
PNG
(1-(4-chloro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50175903
PNG
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50175894
PNG
(1-phenethyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-...)
Show SMILES O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-6,9-12,24-25H,7-8,13-21H2,(H,28,31)/t24-,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50175907
PNG
(1-pentyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H37N3O/c1-2-3-9-16-27-19-25-23(28)24(27)14-17-26(18-15-24)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-6,10-11,21-22H,2-3,7-9,12-19H2,1H3,(H,25,28)/t21-,22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175926
PNG
(1-cyclohexylmethyl-8-((1S,2S)-2-phenyl-cyclohexyl)...)
Show SMILES O=C1NCN(CC2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H39N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h2,5-6,11-12,21,23-24H,1,3-4,7-10,13-20H2,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175907
PNG
(1-pentyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H37N3O/c1-2-3-9-16-27-19-25-23(28)24(27)14-17-26(18-15-24)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-6,10-11,21-22H,2-3,7-9,12-19H2,1H3,(H,25,28)/t21-,22-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175914
PNG
(1-(2-cyclohexyl-ethyl)-8-((1S,2S)-2-phenyl-cyclohe...)
Show SMILES O=C1NCN(CCC2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H41N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h2,5-6,11-12,22,24-25H,1,3-4,7-10,13-21H2,(H,28,31)/t24-,25-/m0/s1
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175906
PNG
(1-phenyl-8-((cis,rac)-2-phenyl-cycloheptyl)-1,3,8-...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O/c30-25-26(29(20-27-25)22-12-6-2-7-13-22)16-18-28(19-17-26)24-15-9-3-8-14-23(24)21-10-4-1-5-11-21/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175900
PNG
(8-[(1S,2S)-2-(4-fluoro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30FN3O/c26-20-12-10-19(11-13-20)22-8-4-5-9-23(22)28-16-14-25(15-17-28)24(30)27-18-29(25)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 1.60E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175923
PNG
(1-(4-methoxy-phenyl)-8-((1S,2S)-2-phenyl-cyclohexy...)
Show SMILES COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-31-22-13-11-21(12-14-22)29-19-27-25(30)26(29)15-17-28(18-16-26)24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 2.70E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175911
PNG
(1-hexyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tria...)
Show SMILES CCCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H39N3O/c1-2-3-4-10-17-28-20-26-24(29)25(28)15-18-27(19-16-25)23-14-9-8-13-22(23)21-11-6-5-7-12-21/h5-7,11-12,22-23H,2-4,8-10,13-20H2,1H3,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175927
PNG
(1-phenyl-8-((1S,2S)-2-p-tolyl-cyclohexyl)-1,3,8-tr...)
Show SMILES Cc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-11-13-21(14-12-20)23-9-5-6-10-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175927
PNG
(1-phenyl-8-((1S,2S)-2-p-tolyl-cyclohexyl)-1,3,8-tr...)
Show SMILES Cc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-11-13-21(14-12-20)23-9-5-6-10-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175910
PNG
(1-(4-fluoro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Fc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30FN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175895
PNG
(1-phenyl-8-((1S,2S)-2-o-tolyl-cyclohexyl)-1,3,8-tr...)
Show SMILES Cc1ccccc1[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-9-5-6-12-22(20)23-13-7-8-14-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)21-10-3-2-4-11-21/h2-6,9-12,23-24H,7-8,13-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175894
PNG
(1-phenethyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-...)
Show SMILES O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-6,9-12,24-25H,7-8,13-21H2,(H,28,31)/t24-,25-/m0/s1
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175904
PNG
(8-[(1S,2S)-2-(4-chloro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-12-10-19(11-13-20)22-8-4-5-9-23(22)28-16-14-25(15-17-28)24(30)27-18-29(25)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175897
PNG
(1-methyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES CN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H29N3O/c1-22-15-21-19(24)20(22)11-13-23(14-12-20)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,21,24)/t17-,18-/m0/s1
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175893
PNG
(1-ethyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tria...)
Show SMILES CCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C21H31N3O/c1-2-24-16-22-20(25)21(24)12-14-23(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H,22,25)/t18-,19-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175898
PNG
(1-(4-chloro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175907
PNG
(1-pentyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H37N3O/c1-2-3-9-16-27-19-25-23(28)24(27)14-17-26(18-15-24)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-6,10-11,21-22H,2-3,7-9,12-19H2,1H3,(H,25,28)/t21-,22-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175915
PNG
(1-cyclohexyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(C2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,9-10,21-23H,2,5-8,11-19H2,(H,26,29)/t22-,23-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175913
PNG
(1-phenyl-8-((1S,2R)-2-pyridin-2-yl-cyclohexyl)-1,3...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccn1
Show InChI InChI=1S/C24H30N4O/c29-23-24(28(18-26-23)19-8-2-1-3-9-19)13-16-27(17-14-24)22-12-5-4-10-20(22)21-11-6-7-15-25-21/h1-3,6-9,11,15,20,22H,4-5,10,12-14,16-18H2,(H,26,29)/t20-,22-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175901
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-propyl-1,3,8-tri...)
Show SMILES CCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-2-14-25-17-23-21(26)22(25)12-15-24(16-13-22)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,26)/t19-,20-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175901
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-propyl-1,3,8-tri...)
Show SMILES CCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-2-14-25-17-23-21(26)22(25)12-15-24(16-13-22)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,26)/t19-,20-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175925
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-(4-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H30F3N3O/c27-26(28,29)20-10-12-21(13-11-20)32-18-30-24(33)25(32)14-16-31(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,30,33)/t22-,23-/m0/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175915
PNG
(1-cyclohexyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(C2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,9-10,21-23H,2,5-8,11-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 750n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175926
PNG
(1-cyclohexylmethyl-8-((1S,2S)-2-phenyl-cyclohexyl)...)
Show SMILES O=C1NCN(CC2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H39N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h2,5-6,11-12,21,23-24H,1,3-4,7-10,13-20H2,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 2.50E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175921
PNG
(1-cyclobutyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(C2CCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C23H33N3O/c27-22-23(26(17-24-22)19-9-6-10-19)13-15-25(16-14-23)21-12-5-4-11-20(21)18-7-2-1-3-8-18/h1-3,7-8,19-21H,4-6,9-17H2,(H,24,27)/t20-,21-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175896
PNG
(1-cyclopentyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(C2CCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H35N3O/c28-23-24(27(18-25-23)20-10-4-5-11-20)14-16-26(17-15-24)22-13-7-6-12-21(22)19-8-2-1-3-9-19/h1-3,8-9,20-22H,4-7,10-18H2,(H,25,28)/t21-,22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175908
PNG
(8-[(1S,2S)-2-(4-chloro-3-trifluoromethyl-phenyl)-c...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H29ClF3N3O/c27-22-11-10-18(16-21(22)26(28,29)30)20-8-4-5-9-23(20)32-14-12-25(13-15-32)24(34)31-17-33(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,31,34)/t20-,23-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175904
PNG
(8-[(1S,2S)-2-(4-chloro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-12-10-19(11-13-20)22-8-4-5-9-23(22)28-16-14-25(15-17-28)24(30)27-18-29(25)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175899
PNG
(8-[(1S,2S)-2-(3,4-dichloro-phenyl)-cyclohexyl]-1-p...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H29Cl2N3O/c26-21-11-10-18(16-22(21)27)20-8-4-5-9-23(20)29-14-12-25(13-15-29)24(31)28-17-30(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,28,31)/t20-,23-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175925
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-(4-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H30F3N3O/c27-26(28,29)20-10-12-21(13-11-20)32-18-30-24(33)25(32)14-16-31(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,30,33)/t22-,23-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175929
PNG
(8-benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-o...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,24)
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175896
PNG
(1-cyclopentyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(C2CCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H35N3O/c28-23-24(27(18-25-23)20-10-4-5-11-20)14-16-26(17-15-24)22-13-7-6-12-21(22)19-8-2-1-3-9-19/h1-3,8-9,20-22H,4-7,10-18H2,(H,25,28)/t21-,22-/m0/s1
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n/an/an/an/a 630n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175921
PNG
(1-cyclobutyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(C2CCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C23H33N3O/c27-22-23(26(17-24-22)19-9-6-10-19)13-15-25(16-14-23)21-12-5-4-11-20(21)18-7-2-1-3-8-18/h1-3,7-8,19-21H,4-6,9-17H2,(H,24,27)/t20-,21-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175909
PNG
(8-(2-methyl-2-phenyl-propyl)-1-phenyl-1,3,8-triaza...)
Show SMILES CC(C)(CN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H29N3O/c1-22(2,19-9-5-3-6-10-19)17-25-15-13-23(14-16-25)21(27)24-18-26(23)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,24,27)
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n/an/an/an/a 7.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175894
PNG
(1-phenethyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-...)
Show SMILES O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-6,9-12,24-25H,7-8,13-21H2,(H,28,31)/t24-,25-/m0/s1
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n/an/an/an/a 1.80E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175920
PNG
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175924
PNG
(8-[(1S,2S)-2-(3-chloro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Clc1cccc(c1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-8-6-7-19(17-20)22-11-4-5-12-23(22)28-15-13-25(14-16-28)24(30)27-18-29(25)21-9-2-1-3-10-21/h1-3,6-10,17,22-23H,4-5,11-16,18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175923
PNG
(1-(4-methoxy-phenyl)-8-((1S,2S)-2-phenyl-cyclohexy...)
Show SMILES COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-31-22-13-11-21(12-14-22)29-19-27-25(30)26(29)15-17-28(18-16-26)24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 66n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175928
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-(2-piperidin-1-y...)
Show SMILES O=C1NCN(CCN2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H40N4O/c31-25-26(30(21-27-25)20-19-28-15-7-2-8-16-28)13-17-29(18-14-26)24-12-6-5-11-23(24)22-9-3-1-4-10-22/h1,3-4,9-10,23-24H,2,5-8,11-21H2,(H,27,31)/t23-,24-/m0/s1
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n/an/an/an/a 7.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175905
PNG
(1-(2-methoxy-ethyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES COCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C22H33N3O2/c1-27-16-15-25-17-23-21(26)22(25)11-13-24(14-12-22)20-10-6-5-9-19(20)18-7-3-2-4-8-18/h2-4,7-8,19-20H,5-6,9-17H2,1H3,(H,23,26)/t19-,20-/m0/s1
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n/an/an/an/a 5.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50044452
PNG
(8-Phenethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-9-5-2-6-10-19)12-15-23(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175912
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-p-tolyl-1,3,8-tr...)
Show SMILES Cc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-11-13-22(14-12-20)29-19-27-25(30)26(29)15-17-28(18-16-26)24-10-6-5-9-23(24)21-7-3-2-4-8-21/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175917
PNG
(1-benzyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES O=C1NCN(Cc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175902
PNG
(1-phenyl-8-((cis,1R,2R)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175898
PNG
(1-(4-chloro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175903
PNG
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175912
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-p-tolyl-1,3,8-tr...)
Show SMILES Cc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-11-13-22(14-12-20)29-19-27-25(30)26(29)15-17-28(18-16-26)24-10-6-5-9-23(24)21-7-3-2-4-8-21/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175917
PNG
(1-benzyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tri...)
Show SMILES O=C1NCN(Cc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C26H33N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 258n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175916
PNG
(8-[(1S,2S)-2-(4-methoxy-phenyl)-cyclohexyl]-1-phen...)
Show SMILES COc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-31-22-13-11-20(12-14-22)23-9-5-6-10-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)21-7-3-2-4-8-21/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175924
PNG
(8-[(1S,2S)-2-(3-chloro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Clc1cccc(c1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30ClN3O/c26-20-8-6-7-19(17-20)22-11-4-5-12-23(22)28-15-13-25(14-16-28)24(30)27-18-29(25)21-9-2-1-3-10-21/h1-3,6-10,17,22-23H,4-5,11-16,18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175900
PNG
(8-[(1S,2S)-2-(4-fluoro-phenyl)-cyclohexyl]-1-pheny...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H30FN3O/c26-20-12-10-19(11-13-20)22-8-4-5-9-23(22)28-16-14-25(15-17-28)24(30)27-18-29(25)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175899
PNG
(8-[(1S,2S)-2-(3,4-dichloro-phenyl)-cyclohexyl]-1-p...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C25H29Cl2N3O/c26-21-11-10-18(16-22(21)27)20-8-4-5-9-23(20)29-14-12-25(13-15-29)24(31)28-17-30(25)19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20,23H,4-5,8-9,12-15,17H2,(H,28,31)/t20-,23-/m0/s1
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n/an/an/an/a 6.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175918
PNG
(1-phenyl-8-((cis,rac)-2-phenyl-cyclopentyl)-1,3,8-...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C24H29N3O/c28-23-24(27(18-25-23)20-10-5-2-6-11-20)14-16-26(17-15-24)22-13-7-12-21(22)19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-18H2,(H,25,28)/t21-,22-/m0/s1
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175910
PNG
(1-(4-fluoro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl...)
Show SMILES Fc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H30FN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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n/an/an/an/a 2.30E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175914
PNG
(1-(2-cyclohexyl-ethyl)-8-((1S,2S)-2-phenyl-cyclohe...)
Show SMILES O=C1NCN(CCC2CCCCC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H41N3O/c31-26-27(30(21-28-26)18-15-22-9-3-1-4-10-22)16-19-29(20-17-27)25-14-8-7-13-24(25)23-11-5-2-6-12-23/h2,5-6,11-12,22,24-25H,1,3-4,7-10,13-21H2,(H,28,31)/t24-,25-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175895
PNG
(1-phenyl-8-((1S,2S)-2-o-tolyl-cyclohexyl)-1,3,8-tr...)
Show SMILES Cc1ccccc1[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-20-9-5-6-12-22(20)23-13-7-8-14-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)21-10-3-2-4-11-21/h2-6,9-12,23-24H,7-8,13-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 510n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175911
PNG
(1-hexyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-tria...)
Show SMILES CCCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H39N3O/c1-2-3-4-10-17-28-20-26-24(29)25(28)15-18-27(19-16-25)23-14-9-8-13-22(23)21-11-6-5-7-12-21/h5-7,11-12,22-23H,2-4,8-10,13-20H2,1H3,(H,26,29)/t22-,23-/m0/s1
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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 in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175916
PNG
(8-[(1S,2S)-2-(4-methoxy-phenyl)-cyclohexyl]-1-phen...)
Show SMILES COc1ccc(cc1)[C@@H]1CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-31-22-13-11-20(12-14-22)23-9-5-6-10-24(23)28-17-15-26(16-18-28)25(30)27-19-29(26)21-7-3-2-4-8-21/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,30)/t23-,24-/m0/s1
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n/an/an/an/a 610n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50175903
PNG
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
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n/an/an/an/a 1.70E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175920
PNG
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1
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n/an/an/an/a 73n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175922
PNG
(8-(1,1-dimethyl-2-phenyl-ethyl)-1-phenyl-1,3,8-tri...)
Show SMILES CC(C)(Cc1ccccc1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O/c1-22(2,17-19-9-5-3-6-10-19)25-15-13-23(14-16-25)21(27)24-18-26(23)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,24,27)
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n/an/an/an/a 9.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175902
PNG
(1-phenyl-8-((cis,1R,2R)-2-phenyl-cyclohexyl)-1,3,8...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175919
PNG
(1-cyclopropyl-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,...)
Show SMILES O=C1NCN(C2CC2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C22H31N3O/c26-21-22(25(16-23-21)18-10-11-18)12-14-24(15-13-22)20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2,(H,23,26)/t19-,20-/m0/s1
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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 in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%